REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gg4_1_B DATA FIRST_RESID 502 DATA SEQUENCE ISVTLSQLTD ILNGELQGAD ITLDAVTTDT RKLTPGCLFV ALKGERFDAH DATA SEQUENCE DFADQAKAGG AGALLVSRPL DIDLPQLIVK DTRLAFGELA AWVRQQVPAR DATA SEQUENCE VVALTGSSGK TSVKEXTAAI LSQCGNTLYT AGNLNNDIGV PXTLLRLTPE DATA SEQUENCE YDYAVIELGA NHQGEIAWTV SLTRPEAALV NNLAXXXXXX XXSLAGVAKA DATA SEQUENCE KGEIFSGLPE NGIAIXNADN NDWLNWQSVI GSRKVWRFSP NAANSDFTAT DATA SEQUENCE NIHVTSHGTE FTLQTPTGSV DVLLPLPGRH NIANALAAAA LSXSVGATLD DATA SEQUENCE AIKAGLANLK AVPGRLFPIQ LAENQLLLDD SYNANVGSXT AAVQVLAEXP DATA SEQUENCE GYRVLVVGDX AELGAESEAC HVQVGEAAKA AGIDRVLSVG KQSHAISTAS DATA SEQUENCE GVGEHFADKT ALITRLKLLI AEQQVITILV KGSRSAAXEE VVRALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 502 I HA 0.000 nan 4.170 nan 0.000 0.288 502 I C 0.000 176.203 176.117 0.143 0.000 1.063 502 I CA 0.000 61.361 61.300 0.102 0.000 1.566 502 I CB 0.000 38.045 38.000 0.075 0.000 1.214 503 S N 1.528 117.297 115.700 0.115 0.000 2.516 503 S HA 0.541 5.011 4.470 0.000 0.000 0.282 503 S C -0.550 174.143 174.600 0.155 0.000 1.286 503 S CA -0.139 58.125 58.200 0.108 0.000 1.066 503 S CB 0.402 63.647 63.200 0.075 0.000 0.884 503 S HN 0.621 nan 8.310 nan 0.000 0.491 504 V N 4.863 124.845 119.914 0.114 0.000 3.087 504 V HA 0.731 4.851 4.120 0.000 0.000 0.306 504 V C -0.348 175.748 176.094 0.003 0.000 1.187 504 V CA -0.526 61.814 62.300 0.067 0.000 0.999 504 V CB 2.591 34.410 31.823 -0.006 0.000 1.049 504 V HN 0.994 nan 8.190 nan 0.000 0.431 505 T N 3.109 117.642 114.554 -0.035 0.000 2.902 505 T HA 0.459 4.809 4.350 0.000 0.000 0.283 505 T C 0.753 175.414 174.700 -0.065 0.000 1.009 505 T CA -0.532 61.549 62.100 -0.033 0.000 1.051 505 T CB 1.547 70.404 68.868 -0.019 0.000 0.999 505 T HN 0.473 nan 8.240 nan 0.000 0.474 506 L N 2.424 123.623 121.223 -0.040 0.000 2.127 506 L HA -0.053 4.287 4.340 0.000 0.000 0.211 506 L C 2.797 179.633 176.870 -0.056 0.000 1.089 506 L CA 2.165 56.979 54.840 -0.043 0.000 0.757 506 L CB -1.169 40.880 42.059 -0.017 0.000 0.899 506 L HN 0.996 nan 8.230 nan 0.000 0.434 507 S N -2.392 113.278 115.700 -0.049 0.000 2.453 507 S HA -0.157 4.314 4.470 0.000 0.000 0.231 507 S C 1.789 176.345 174.600 -0.072 0.000 1.005 507 S CA 0.535 58.707 58.200 -0.048 0.000 0.949 507 S CB -0.289 62.893 63.200 -0.030 0.000 0.774 507 S HN 0.552 nan 8.310 nan 0.000 0.510 508 Q N 0.268 120.006 119.800 -0.104 0.000 2.049 508 Q HA 0.105 4.445 4.340 0.000 0.000 0.198 508 Q C 1.942 177.809 176.000 -0.221 0.000 0.971 508 Q CA 0.934 56.643 55.803 -0.157 0.000 0.833 508 Q CB -0.363 28.250 28.738 -0.207 0.000 0.896 508 Q HN 0.361 nan 8.270 nan 0.000 0.434 509 L N 1.016 122.098 121.223 -0.235 0.000 2.137 509 L HA -0.230 4.110 4.340 0.000 0.000 0.213 509 L C 2.566 179.352 176.870 -0.140 0.000 1.085 509 L CA 2.257 56.962 54.840 -0.225 0.000 0.760 509 L CB -1.319 40.645 42.059 -0.157 0.000 0.893 509 L HN 0.448 nan 8.230 nan 0.000 0.434 510 T N -3.531 110.965 114.554 -0.098 0.000 2.684 510 T HA -0.253 4.097 4.350 0.000 0.000 0.267 510 T C 1.616 176.280 174.700 -0.060 0.000 1.036 510 T CA 1.391 63.453 62.100 -0.062 0.000 1.148 510 T CB -0.650 68.191 68.868 -0.044 0.000 0.863 510 T HN 0.471 nan 8.240 nan 0.000 0.436 511 D N 1.351 121.706 120.400 -0.075 0.000 2.077 511 D HA -0.066 4.574 4.640 0.000 0.000 0.196 511 D C 2.119 178.377 176.300 -0.069 0.000 0.986 511 D CA 1.017 54.981 54.000 -0.059 0.000 0.829 511 D CB -0.542 40.225 40.800 -0.056 0.000 0.983 511 D HN 0.470 nan 8.370 nan 0.000 0.453 512 I N -0.006 120.480 120.570 -0.140 0.000 2.145 512 I HA -0.262 3.909 4.170 0.000 0.000 0.244 512 I C 2.048 178.122 176.117 -0.072 0.000 1.075 512 I CA 1.140 62.342 61.300 -0.164 0.000 1.332 512 I CB -0.193 37.547 38.000 -0.434 0.000 1.033 512 I HN 0.224 nan 8.210 nan 0.000 0.410 513 L N -0.273 120.909 121.223 -0.068 0.000 2.585 513 L HA 0.140 4.480 4.340 0.000 0.000 0.226 513 L C 0.449 177.323 176.870 0.005 0.000 1.113 513 L CA -0.031 54.803 54.840 -0.009 0.000 0.876 513 L CB -0.416 41.640 42.059 -0.006 0.000 1.072 513 L HN 0.386 nan 8.230 nan 0.000 0.468 514 N N 1.205 119.900 118.700 -0.009 0.000 2.726 514 N HA -0.129 4.611 4.740 0.000 0.000 0.253 514 N C -0.394 175.114 175.510 -0.003 0.000 1.059 514 N CA 0.831 53.880 53.050 -0.002 0.000 0.701 514 N CB -0.923 37.572 38.487 0.013 0.000 0.899 514 N HN 0.469 nan 8.380 nan 0.000 0.548 515 G N -0.047 108.746 108.800 -0.012 0.000 2.619 515 G HA2 0.486 4.446 3.960 0.000 0.000 0.296 515 G HA3 0.486 4.446 3.960 0.000 0.000 0.296 515 G C -1.537 173.355 174.900 -0.014 0.000 1.334 515 G CA -0.737 44.358 45.100 -0.010 0.000 0.934 515 G HN 0.313 nan 8.290 nan 0.000 0.476 516 E N 1.255 121.447 120.200 -0.012 0.000 2.194 516 E HA 0.172 4.522 4.350 0.000 0.000 0.284 516 E C -0.535 176.058 176.600 -0.013 0.000 1.035 516 E CA -0.395 55.997 56.400 -0.013 0.000 0.836 516 E CB 1.114 30.806 29.700 -0.013 0.000 1.070 516 E HN 0.374 nan 8.360 nan 0.000 0.401 517 L N 4.655 125.870 121.223 -0.014 0.000 2.331 517 L HA 0.180 4.520 4.340 0.000 0.000 0.278 517 L C -0.303 176.561 176.870 -0.009 0.000 1.106 517 L CA 0.052 54.886 54.840 -0.011 0.000 0.824 517 L CB 0.810 42.860 42.059 -0.014 0.000 1.142 517 L HN 0.646 nan 8.230 nan 0.000 0.443 518 Q N 4.087 123.883 119.800 -0.006 0.000 3.064 518 Q HA 0.503 4.843 4.340 0.000 0.000 0.258 518 Q C -0.576 175.423 176.000 -0.002 0.000 0.972 518 Q CA -0.185 55.614 55.803 -0.006 0.000 0.761 518 Q CB 1.229 29.961 28.738 -0.009 0.000 1.281 518 Q HN 0.969 nan 8.270 nan 0.000 0.455 519 G N 0.447 109.246 108.800 -0.002 0.000 2.367 519 G HA2 0.440 4.401 3.960 0.000 0.000 0.272 519 G HA3 0.440 4.401 3.960 0.000 0.000 0.272 519 G C -1.606 173.294 174.900 0.000 0.000 1.271 519 G CA -0.259 44.842 45.100 0.001 0.000 0.893 519 G HN 0.480 nan 8.290 nan 0.000 0.485 520 A N -0.704 122.118 122.820 0.002 0.000 2.257 520 A HA 0.690 5.010 4.320 0.000 0.000 0.289 520 A C -0.141 177.444 177.584 0.001 0.000 1.095 520 A CA 0.259 52.297 52.037 0.002 0.000 0.836 520 A CB 0.786 19.788 19.000 0.003 0.000 1.111 520 A HN 0.738 nan 8.150 nan 0.000 0.497 521 D N -0.670 119.730 120.400 -0.000 0.000 2.313 521 D HA 0.577 5.217 4.640 0.000 0.000 0.247 521 D C -0.531 175.771 176.300 0.003 0.000 1.094 521 D CA 0.335 54.334 54.000 -0.002 0.000 0.925 521 D CB 0.464 41.262 40.800 -0.004 0.000 1.188 521 D HN 0.344 nan 8.370 nan 0.000 0.430 522 I N 0.520 121.092 120.570 0.003 0.000 3.006 522 I HA 0.175 4.345 4.170 0.000 0.000 0.306 522 I C -0.636 175.488 176.117 0.010 0.000 1.250 522 I CA -0.703 60.603 61.300 0.010 0.000 0.996 522 I CB 2.594 40.603 38.000 0.016 0.000 1.261 522 I HN 0.184 nan 8.210 nan 0.000 0.442 523 T N 5.308 119.872 114.554 0.018 0.000 2.758 523 T HA 0.598 4.948 4.350 0.000 0.000 0.285 523 T C -0.127 174.592 174.700 0.032 0.000 0.981 523 T CA -0.333 61.781 62.100 0.023 0.000 0.965 523 T CB 0.624 69.507 68.868 0.025 0.000 0.927 523 T HN 0.212 nan 8.240 nan 0.000 0.448 524 L N 2.212 123.458 121.223 0.039 0.000 2.544 524 L HA 0.652 4.992 4.340 0.000 0.000 0.256 524 L C 0.825 177.733 176.870 0.063 0.000 1.097 524 L CA -0.486 54.385 54.840 0.052 0.000 0.812 524 L CB 0.782 42.874 42.059 0.056 0.000 1.440 524 L HN 0.559 nan 8.230 nan 0.000 0.496 525 D N -1.379 119.063 120.400 0.071 0.000 2.456 525 D HA 0.264 4.904 4.640 0.000 0.000 0.530 525 D C -0.881 175.465 176.300 0.077 0.000 1.034 525 D CA 0.268 54.312 54.000 0.073 0.000 1.092 525 D CB 0.787 41.620 40.800 0.055 0.000 1.552 525 D HN 0.588 nan 8.370 nan 0.000 0.388 526 A N 0.360 123.229 122.820 0.083 0.000 2.540 526 A HA 0.652 4.973 4.320 0.000 0.000 0.297 526 A C -1.699 175.949 177.584 0.106 0.000 1.056 526 A CA -0.433 51.658 52.037 0.090 0.000 0.700 526 A CB 1.768 20.815 19.000 0.077 0.000 1.280 526 A HN 0.357 nan 8.150 nan 0.000 0.398 527 V N 1.381 121.370 119.914 0.125 0.000 2.789 527 V HA 0.975 5.095 4.120 0.000 0.000 0.311 527 V C -0.543 175.646 176.094 0.159 0.000 1.073 527 V CA 0.634 63.022 62.300 0.148 0.000 0.921 527 V CB 1.996 33.931 31.823 0.188 0.000 1.009 527 V HN 1.824 nan 8.190 nan 0.000 0.426 528 T N 2.194 116.820 114.554 0.120 0.000 2.840 528 T HA 0.456 4.806 4.350 0.000 0.000 0.317 528 T C 0.288 174.934 174.700 -0.091 0.000 1.401 528 T CA 0.356 62.503 62.100 0.079 0.000 1.028 528 T CB 1.756 70.691 68.868 0.112 0.000 1.317 528 T HN 1.164 nan 8.240 nan 0.000 0.495 529 T N -0.774 113.683 114.554 -0.163 0.000 3.044 529 T HA 0.322 4.673 4.350 0.000 0.000 0.260 529 T C -0.007 174.662 174.700 -0.050 0.000 1.019 529 T CA -0.154 61.736 62.100 -0.350 0.000 0.921 529 T CB 0.115 68.715 68.868 -0.447 0.000 1.053 529 T HN 0.456 nan 8.240 nan 0.000 0.533 530 D N 2.151 122.597 120.400 0.077 0.000 2.303 530 D HA 0.319 4.959 4.640 0.000 0.000 0.236 530 D C 1.417 177.823 176.300 0.176 0.000 1.068 530 D CA -0.267 53.798 54.000 0.108 0.000 0.830 530 D CB 2.105 42.927 40.800 0.036 0.000 1.109 530 D HN 0.130 nan 8.370 nan 0.000 0.496 531 T N 1.658 116.300 114.554 0.147 0.000 2.881 531 T HA -0.126 4.224 4.350 0.000 0.000 0.270 531 T C 1.507 176.215 174.700 0.013 0.000 1.068 531 T CA 0.795 62.923 62.100 0.047 0.000 1.131 531 T CB -0.062 68.776 68.868 -0.051 0.000 0.871 531 T HN 0.367 nan 8.240 nan 0.000 0.479 532 R N 0.838 121.342 120.500 0.006 0.000 2.323 532 R HA 0.203 4.544 4.340 0.000 0.000 0.198 532 R C 1.486 177.795 176.300 0.016 0.000 0.988 532 R CA 0.355 56.453 56.100 -0.002 0.000 1.041 532 R CB 0.107 30.396 30.300 -0.017 0.000 0.926 532 R HN 0.199 nan 8.270 nan 0.000 0.476 533 K N 0.095 120.520 120.400 0.041 0.000 2.438 533 K HA 0.153 4.473 4.320 0.000 0.000 0.206 533 K C -0.231 176.406 176.600 0.062 0.000 1.081 533 K CA -0.324 55.992 56.287 0.049 0.000 1.053 533 K CB 0.617 33.150 32.500 0.056 0.000 0.908 533 K HN -0.012 nan 8.250 nan 0.000 0.556 534 L N 2.624 123.886 121.223 0.065 0.000 2.615 534 L HA -0.038 4.302 4.340 0.000 0.000 0.284 534 L C 0.492 177.392 176.870 0.049 0.000 1.237 534 L CA 1.246 56.127 54.840 0.067 0.000 0.905 534 L CB -0.477 41.604 42.059 0.037 0.000 1.149 534 L HN 0.150 nan 8.230 nan 0.000 0.499 535 T N 2.594 117.183 114.554 0.057 0.000 2.887 535 T HA 0.464 4.814 4.350 0.000 0.000 0.288 535 T C -2.550 172.176 174.700 0.043 0.000 1.021 535 T CA -2.007 60.120 62.100 0.045 0.000 1.000 535 T CB 1.533 70.431 68.868 0.049 0.000 1.034 535 T HN 0.270 nan 8.240 nan 0.000 0.467 536 P HA 0.194 nan 4.420 nan 0.000 0.250 536 P C 1.018 178.338 177.300 0.034 0.000 1.161 536 P CA 1.352 64.469 63.100 0.028 0.000 0.863 536 P CB -0.543 31.170 31.700 0.022 0.000 0.827 537 G N 1.999 110.821 108.800 0.037 0.000 2.132 537 G HA2 -0.258 3.702 3.960 0.000 0.000 0.228 537 G HA3 -0.258 3.702 3.960 0.000 0.000 0.228 537 G C 0.462 175.395 174.900 0.055 0.000 1.000 537 G CA -0.229 44.896 45.100 0.041 0.000 0.693 537 G HN 0.751 nan 8.290 nan 0.000 0.515 538 C N -1.005 118.336 119.300 0.068 0.000 2.560 538 C HA 0.879 5.339 4.460 0.000 0.000 0.334 538 C C 0.836 175.889 174.990 0.106 0.000 1.404 538 C CA -1.078 57.992 59.018 0.087 0.000 2.410 538 C CB 0.829 28.628 27.740 0.099 0.000 2.268 538 C HN 1.204 nan 8.230 nan 0.000 0.673 539 L N 0.670 121.965 121.223 0.119 0.000 2.317 539 L HA 0.690 5.030 4.340 0.000 0.000 0.281 539 L C -0.762 176.216 176.870 0.181 0.000 1.024 539 L CA -0.461 54.458 54.840 0.131 0.000 0.810 539 L CB 1.084 43.203 42.059 0.099 0.000 1.240 539 L HN 0.798 nan 8.230 nan 0.000 0.427 540 F N 5.649 125.626 119.950 0.045 0.000 2.411 540 F HA 0.635 5.162 4.527 0.000 0.000 0.352 540 F C -0.928 174.887 175.800 0.024 0.000 1.123 540 F CA -0.730 57.291 58.000 0.034 0.000 1.044 540 F CB 1.334 40.358 39.000 0.040 0.000 1.135 540 F HN 0.233 nan 8.300 nan 0.000 0.461 541 V N 6.677 126.177 119.914 -0.689 0.000 2.348 541 V HA 0.477 4.598 4.120 0.000 0.000 0.270 541 V C 0.409 175.928 176.094 -0.957 0.000 1.037 541 V CA -0.653 61.285 62.300 -0.603 0.000 0.872 541 V CB 0.595 32.117 31.823 -0.502 0.000 1.002 541 V HN 0.954 nan 8.190 nan 0.000 0.464 542 A N 7.252 129.728 122.820 -0.574 0.000 2.539 542 A HA 0.559 4.879 4.320 0.000 0.000 0.306 542 A C -0.086 177.234 177.584 -0.440 0.000 1.392 542 A CA -0.188 51.593 52.037 -0.427 0.000 1.060 542 A CB -0.372 18.645 19.000 0.029 0.000 1.134 542 A HN 0.824 nan 8.150 nan 0.000 0.542 543 L N 2.648 123.651 121.223 -0.367 0.000 2.375 543 L HA 0.486 4.826 4.340 0.000 0.000 0.271 543 L C 0.666 177.278 176.870 -0.431 0.000 1.107 543 L CA -0.372 54.300 54.840 -0.279 0.000 0.806 543 L CB 1.344 43.349 42.059 -0.090 0.000 1.146 543 L HN 0.847 nan 8.230 nan 0.000 0.447 544 K N 1.047 121.089 120.400 -0.598 0.000 2.444 544 K HA 0.917 5.237 4.320 0.000 0.000 0.252 544 K C -0.769 175.222 176.600 -1.014 0.000 0.993 544 K CA -0.737 54.981 56.287 -0.948 0.000 0.847 544 K CB 2.577 34.761 32.500 -0.528 0.000 1.340 544 K HN 0.640 nan 8.250 nan 0.000 0.446 545 G N 0.229 108.353 108.800 -1.125 0.000 2.606 545 G HA2 0.108 4.068 3.960 0.000 0.000 0.300 545 G HA3 0.108 4.068 3.960 0.000 0.000 0.300 545 G C -0.367 174.431 174.900 -0.171 0.000 1.360 545 G CA -0.412 44.427 45.100 -0.435 0.000 0.783 545 G HN 0.777 nan 8.290 nan 0.000 0.484 546 E N -0.713 119.502 120.200 0.025 0.000 2.097 546 E HA -0.143 4.207 4.350 0.000 0.000 0.196 546 E C 1.795 178.448 176.600 0.088 0.000 1.000 546 E CA 1.247 57.675 56.400 0.047 0.000 0.804 546 E CB 0.091 29.831 29.700 0.067 0.000 0.740 546 E HN 0.256 nan 8.360 nan 0.000 0.454 547 R N -0.684 119.943 120.500 0.212 0.000 2.397 547 R HA 0.185 4.525 4.340 0.000 0.000 0.241 547 R C -0.227 176.279 176.300 0.344 0.000 0.914 547 R CA 0.091 56.329 56.100 0.230 0.000 1.071 547 R CB 0.355 30.774 30.300 0.199 0.000 1.116 547 R HN 0.182 nan 8.270 nan 0.000 0.524 548 F N -2.524 117.447 119.950 0.035 0.000 2.741 548 F HA 0.567 5.094 4.527 0.000 0.000 0.313 548 F C -1.714 174.107 175.800 0.035 0.000 1.153 548 F CA -1.369 56.668 58.000 0.061 0.000 0.931 548 F CB 1.584 40.634 39.000 0.084 0.000 1.335 548 F HN -0.314 nan 8.300 nan 0.000 0.460 549 D N 1.265 121.633 120.400 -0.054 0.000 2.354 549 D HA 0.329 4.969 4.640 0.000 0.000 0.230 549 D C -0.225 176.059 176.300 -0.027 0.000 1.361 549 D CA -0.087 53.768 54.000 -0.242 0.000 0.992 549 D CB 1.900 42.605 40.800 -0.158 0.000 1.409 549 D HN 0.957 nan 8.370 nan 0.000 0.573 550 A N 3.277 126.133 122.820 0.060 0.000 2.258 550 A HA -0.063 4.257 4.320 0.000 0.000 0.206 550 A C 1.248 178.950 177.584 0.197 0.000 1.222 550 A CA 0.452 52.721 52.037 0.387 0.000 0.822 550 A CB -0.474 18.810 19.000 0.473 0.000 0.804 550 A HN 0.593 nan 8.150 nan 0.000 0.483 551 H N 0.363 119.473 119.070 0.068 0.000 2.428 551 H HA -0.075 4.481 4.556 0.000 0.000 0.296 551 H C 0.950 176.245 175.328 -0.056 0.000 1.062 551 H CA 1.396 57.471 56.048 0.046 0.000 1.350 551 H CB -0.033 29.716 29.762 -0.023 0.000 1.403 551 H HN 0.467 nan 8.280 nan 0.000 0.533 552 D N 0.312 120.614 120.400 -0.164 0.000 2.263 552 D HA -0.107 4.534 4.640 0.000 0.000 0.208 552 D C 1.064 177.043 176.300 -0.535 0.000 0.971 552 D CA 0.707 54.453 54.000 -0.423 0.000 0.867 552 D CB -0.397 39.998 40.800 -0.675 0.000 0.929 552 D HN 0.381 nan 8.370 nan 0.000 0.492 553 F N 0.005 120.006 119.950 0.085 0.000 2.660 553 F HA 0.357 4.884 4.527 0.000 0.000 0.302 553 F C 2.084 177.771 175.800 -0.187 0.000 1.103 553 F CA -0.434 57.556 58.000 -0.016 0.000 1.340 553 F CB -0.011 39.008 39.000 0.031 0.000 1.048 553 F HN -0.140 nan 8.300 nan 0.000 0.551 554 A N 0.486 123.299 122.820 -0.013 0.000 1.933 554 A HA -0.210 4.110 4.320 0.000 0.000 0.218 554 A C 1.708 179.218 177.584 -0.123 0.000 1.175 554 A CA 2.196 54.182 52.037 -0.085 0.000 0.628 554 A CB -0.653 18.401 19.000 0.090 0.000 0.814 554 A HN 0.323 nan 8.150 nan 0.000 0.444 555 D N -1.003 119.356 120.400 -0.069 0.000 2.097 555 D HA -0.164 4.476 4.640 0.000 0.000 0.195 555 D C 2.088 178.345 176.300 -0.071 0.000 0.989 555 D CA 1.689 55.657 54.000 -0.053 0.000 0.827 555 D CB -0.227 40.554 40.800 -0.032 0.000 0.966 555 D HN 0.508 nan 8.370 nan 0.000 0.456 556 Q N 0.478 120.236 119.800 -0.070 0.000 2.084 556 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 556 Q C 1.929 177.829 176.000 -0.168 0.000 0.978 556 Q CA 1.741 57.499 55.803 -0.076 0.000 0.844 556 Q CB -0.453 28.277 28.738 -0.013 0.000 0.898 556 Q HN 0.255 nan 8.270 nan 0.000 0.426 557 A N 0.742 123.358 122.820 -0.341 0.000 1.883 557 A HA -0.260 4.060 4.320 0.000 0.000 0.217 557 A C 2.065 179.524 177.584 -0.208 0.000 1.186 557 A CA 1.954 53.705 52.037 -0.477 0.000 0.624 557 A CB -0.714 17.636 19.000 -1.084 0.000 0.822 557 A HN 0.439 nan 8.150 nan 0.000 0.444 558 K N -0.358 119.956 120.400 -0.144 0.000 2.026 558 K HA -0.064 4.256 4.320 0.000 0.000 0.208 558 K C 2.121 178.692 176.600 -0.048 0.000 1.048 558 K CA 1.309 57.559 56.287 -0.063 0.000 0.929 558 K CB -0.386 32.090 32.500 -0.040 0.000 0.713 558 K HN 0.328 nan 8.250 nan 0.000 0.439 559 A N 0.620 123.408 122.820 -0.054 0.000 1.978 559 A HA -0.075 4.245 4.320 0.000 0.000 0.220 559 A C 2.243 179.807 177.584 -0.034 0.000 1.170 559 A CA 1.813 53.828 52.037 -0.036 0.000 0.636 559 A CB -0.951 18.029 19.000 -0.033 0.000 0.810 559 A HN 0.584 nan 8.150 nan 0.000 0.448 560 G N -2.279 106.491 108.800 -0.049 0.000 2.572 560 G HA2 0.334 4.294 3.960 0.000 0.000 0.216 560 G HA3 0.334 4.294 3.960 0.000 0.000 0.216 560 G C 1.054 175.944 174.900 -0.017 0.000 1.133 560 G CA 0.779 45.857 45.100 -0.036 0.000 0.791 560 G HN 1.625 nan 8.290 nan 0.000 0.538 561 G N -1.476 107.315 108.800 -0.015 0.000 2.318 561 G HA2 0.224 4.184 3.960 0.000 0.000 0.172 561 G HA3 0.224 4.184 3.960 0.000 0.000 0.172 561 G C 0.515 175.426 174.900 0.017 0.000 1.002 561 G CA 0.091 45.194 45.100 0.004 0.000 0.697 561 G HN 1.184 nan 8.290 nan 0.000 0.483 562 A N 0.760 123.589 122.820 0.015 0.000 2.567 562 A HA 0.513 4.833 4.320 0.000 0.000 0.240 562 A C 1.703 179.315 177.584 0.047 0.000 1.053 562 A CA 1.671 53.738 52.037 0.051 0.000 0.755 562 A CB 0.410 19.446 19.000 0.061 0.000 0.978 562 A HN 1.505 nan 8.150 nan 0.000 0.507 563 G N 1.116 109.951 108.800 0.059 0.000 2.603 563 G HA2 0.466 4.427 3.960 0.000 0.000 0.214 563 G HA3 0.466 4.427 3.960 0.000 0.000 0.214 563 G C 0.504 175.435 174.900 0.051 0.000 1.140 563 G CA 1.164 46.292 45.100 0.047 0.000 0.800 563 G HN 1.716 nan 8.290 nan 0.000 0.533 564 A N -0.925 121.940 122.820 0.074 0.000 2.586 564 A HA 0.729 5.049 4.320 0.000 0.000 0.290 564 A C -1.903 175.751 177.584 0.117 0.000 1.086 564 A CA -0.651 51.431 52.037 0.075 0.000 0.665 564 A CB 0.663 19.696 19.000 0.056 0.000 1.279 564 A HN 0.248 nan 8.150 nan 0.000 0.423 565 L N 1.056 122.346 121.223 0.112 0.000 2.404 565 L HA 0.474 4.814 4.340 0.000 0.000 0.272 565 L C -0.938 175.997 176.870 0.109 0.000 0.980 565 L CA -0.696 54.240 54.840 0.160 0.000 0.836 565 L CB 1.647 43.821 42.059 0.191 0.000 1.238 565 L HN 0.655 nan 8.230 nan 0.000 0.408 566 L N 4.679 125.953 121.223 0.085 0.000 2.369 566 L HA 0.567 4.907 4.340 0.000 0.000 0.279 566 L C -0.539 176.376 176.870 0.075 0.000 1.108 566 L CA 0.404 55.277 54.840 0.055 0.000 0.852 566 L CB 1.230 43.311 42.059 0.037 0.000 1.169 566 L HN 0.440 nan 8.230 nan 0.000 0.452 567 V N 4.418 124.381 119.914 0.082 0.000 3.049 567 V HA 0.456 4.576 4.120 0.000 0.000 0.309 567 V C 0.644 176.774 176.094 0.059 0.000 1.148 567 V CA 0.209 62.587 62.300 0.131 0.000 0.990 567 V CB 2.637 34.501 31.823 0.067 0.000 1.039 567 V HN 0.914 nan 8.190 nan 0.000 0.430 568 S N 4.645 120.399 115.700 0.089 0.000 2.631 568 S HA 0.310 4.780 4.470 0.000 0.000 0.217 568 S C 0.322 174.849 174.600 -0.121 0.000 0.958 568 S CA 0.126 58.329 58.200 0.005 0.000 0.920 568 S CB -0.304 62.957 63.200 0.102 0.000 0.776 568 S HN 1.008 nan 8.310 nan 0.000 0.517 569 R N -1.652 118.709 120.500 -0.232 0.000 2.739 569 R HA 0.486 4.826 4.340 0.000 0.000 0.266 569 R C -3.801 172.381 176.300 -0.196 0.000 1.044 569 R CA -1.632 54.345 56.100 -0.204 0.000 0.885 569 R CB -0.447 29.713 30.300 -0.232 0.000 1.260 569 R HN -0.051 nan 8.270 nan 0.000 0.477 570 P HA 0.246 nan 4.420 nan 0.000 0.271 570 P C -0.891 176.353 177.300 -0.094 0.000 1.218 570 P CA -0.288 62.761 63.100 -0.086 0.000 0.780 570 P CB 0.565 32.230 31.700 -0.058 0.000 0.901 571 L N 1.392 122.577 121.223 -0.063 0.000 2.409 571 L HA 0.393 4.734 4.340 0.000 0.000 0.262 571 L C -0.383 176.470 176.870 -0.028 0.000 0.992 571 L CA -0.794 54.016 54.840 -0.050 0.000 0.817 571 L CB 1.955 43.994 42.059 -0.034 0.000 1.350 571 L HN 0.155 nan 8.230 nan 0.000 0.411 572 D N 3.172 123.557 120.400 -0.026 0.000 2.671 572 D HA 0.257 4.897 4.640 0.000 0.000 0.228 572 D C -0.497 175.795 176.300 -0.013 0.000 1.102 572 D CA 0.329 54.318 54.000 -0.018 0.000 1.044 572 D CB 0.002 40.791 40.800 -0.020 0.000 1.113 572 D HN 0.110 nan 8.370 nan 0.000 0.480 573 I N 1.085 121.651 120.570 -0.007 0.000 2.410 573 I HA 0.111 4.281 4.170 0.000 0.000 0.286 573 I C 0.247 176.365 176.117 0.001 0.000 1.009 573 I CA -0.827 60.471 61.300 -0.002 0.000 1.111 573 I CB 1.628 39.632 38.000 0.007 0.000 1.262 573 I HN -0.003 nan 8.210 nan 0.000 0.443 574 D N 7.721 128.120 120.400 -0.002 0.000 2.606 574 D HA 0.292 4.932 4.640 0.000 0.000 0.234 574 D C -0.673 175.630 176.300 0.005 0.000 1.140 574 D CA 0.746 54.746 54.000 0.000 0.000 1.182 574 D CB -0.217 40.582 40.800 -0.002 0.000 1.130 574 D HN 0.368 nan 8.370 nan 0.000 0.485 575 L N 2.294 123.523 121.223 0.011 0.000 2.549 575 L HA 0.330 4.670 4.340 0.000 0.000 0.259 575 L C -2.372 174.512 176.870 0.022 0.000 0.934 575 L CA -2.062 52.790 54.840 0.019 0.000 0.865 575 L CB 2.639 44.716 42.059 0.029 0.000 1.352 575 L HN -0.026 nan 8.230 nan 0.000 0.410 576 P HA 0.049 nan 4.420 nan 0.000 0.262 576 P C -1.185 176.131 177.300 0.027 0.000 1.182 576 P CA 0.326 63.437 63.100 0.019 0.000 0.761 576 P CB 0.464 32.175 31.700 0.019 0.000 0.795 577 Q N 1.636 121.448 119.800 0.019 0.000 2.351 577 Q HA 0.657 4.997 4.340 0.000 0.000 0.273 577 Q C -0.794 175.215 176.000 0.014 0.000 1.077 577 Q CA -0.921 54.896 55.803 0.023 0.000 0.843 577 Q CB 1.891 30.637 28.738 0.013 0.000 1.367 577 Q HN 0.332 nan 8.270 nan 0.000 0.449 578 L N 2.733 123.967 121.223 0.019 0.000 2.462 578 L HA 0.381 4.722 4.340 0.000 0.000 0.255 578 L C -1.455 175.420 176.870 0.009 0.000 1.076 578 L CA -0.616 54.229 54.840 0.009 0.000 0.920 578 L CB 0.909 42.975 42.059 0.012 0.000 1.214 578 L HN 0.556 nan 8.230 nan 0.000 0.472 579 I N 4.142 124.710 120.570 -0.003 0.000 2.505 579 I HA 0.139 4.309 4.170 0.000 0.000 0.287 579 I C 0.331 176.445 176.117 -0.006 0.000 1.104 579 I CA 0.287 61.580 61.300 -0.012 0.000 1.387 579 I CB 0.826 38.811 38.000 -0.025 0.000 1.404 579 I HN 0.213 nan 8.210 nan 0.000 0.528 580 V N 3.505 123.420 119.914 0.002 0.000 3.001 580 V HA 0.537 4.657 4.120 0.000 0.000 0.314 580 V C 0.935 177.031 176.094 0.004 0.000 1.099 580 V CA -0.986 61.319 62.300 0.008 0.000 0.989 580 V CB 1.919 33.757 31.823 0.025 0.000 1.040 580 V HN 0.739 nan 8.190 nan 0.000 0.434 581 K N 0.411 120.812 120.400 0.001 0.000 2.057 581 K HA -0.101 4.219 4.320 0.000 0.000 0.207 581 K C 0.279 176.875 176.600 -0.006 0.000 1.049 581 K CA 1.996 58.279 56.287 -0.007 0.000 0.931 581 K CB 0.125 32.619 32.500 -0.009 0.000 0.714 581 K HN 0.947 nan 8.250 nan 0.000 0.440 582 D N -0.709 119.691 120.400 0.000 0.000 2.736 582 D HA 0.041 4.681 4.640 0.000 0.000 0.243 582 D C 0.315 176.626 176.300 0.019 0.000 1.304 582 D CA -0.150 53.846 54.000 -0.006 0.000 0.934 582 D CB 1.967 42.744 40.800 -0.039 0.000 1.382 582 D HN 0.164 nan 8.370 nan 0.000 0.571 583 T N 1.936 116.503 114.554 0.022 0.000 2.867 583 T HA -0.158 4.193 4.350 0.000 0.000 0.268 583 T C 1.796 176.537 174.700 0.069 0.000 1.057 583 T CA 0.799 62.919 62.100 0.033 0.000 1.136 583 T CB 0.230 69.090 68.868 -0.013 0.000 0.874 583 T HN 0.278 nan 8.240 nan 0.000 0.466 584 R N 1.136 121.663 120.500 0.045 0.000 2.070 584 R HA 0.073 4.413 4.340 0.000 0.000 0.232 584 R C 2.454 178.863 176.300 0.182 0.000 1.138 584 R CA 1.199 57.365 56.100 0.110 0.000 0.936 584 R CB -0.964 29.345 30.300 0.016 0.000 0.839 584 R HN 0.299 nan 8.270 nan 0.000 0.429 585 L N 0.240 121.495 121.223 0.052 0.000 2.013 585 L HA -0.196 4.144 4.340 0.000 0.000 0.212 585 L C 2.466 179.496 176.870 0.267 0.000 1.073 585 L CA 2.130 57.025 54.840 0.092 0.000 0.753 585 L CB -1.286 40.749 42.059 -0.040 0.000 0.890 585 L HN 0.453 nan 8.230 nan 0.000 0.432 586 A N -0.605 122.326 122.820 0.186 0.000 1.972 586 A HA -0.270 4.050 4.320 0.000 0.000 0.219 586 A C 2.140 179.872 177.584 0.247 0.000 1.169 586 A CA 1.421 53.568 52.037 0.182 0.000 0.635 586 A CB -0.740 18.333 19.000 0.122 0.000 0.810 586 A HN 0.382 nan 8.150 nan 0.000 0.446 587 F N 1.155 121.168 119.950 0.104 0.000 2.146 587 F HA 0.008 4.535 4.527 0.000 0.000 0.298 587 F C 2.293 178.176 175.800 0.138 0.000 1.096 587 F CA 1.125 59.181 58.000 0.094 0.000 1.275 587 F CB -0.926 38.117 39.000 0.073 0.000 1.008 587 F HN 0.189 nan 8.300 nan 0.000 0.480 588 G N -0.376 108.548 108.800 0.207 0.000 2.404 588 G HA2 -0.231 3.729 3.960 0.000 0.000 0.215 588 G HA3 -0.231 3.729 3.960 0.000 0.000 0.215 588 G C 1.559 176.478 174.900 0.032 0.000 1.174 588 G CA 0.786 45.958 45.100 0.119 0.000 0.780 588 G HN 0.428 nan 8.290 nan 0.000 0.537 589 E N -0.180 120.121 120.200 0.169 0.000 2.085 589 E HA -0.121 4.229 4.350 0.000 0.000 0.194 589 E C 2.337 179.003 176.600 0.110 0.000 0.994 589 E CA 0.877 57.350 56.400 0.123 0.000 0.801 589 E CB -0.220 29.584 29.700 0.172 0.000 0.743 589 E HN 0.332 nan 8.360 nan 0.000 0.453 590 L N 0.703 121.987 121.223 0.101 0.000 2.131 590 L HA -0.113 4.227 4.340 0.000 0.000 0.210 590 L C 2.029 178.976 176.870 0.128 0.000 1.092 590 L CA 1.944 56.856 54.840 0.120 0.000 0.759 590 L CB -0.502 41.621 42.059 0.107 0.000 0.903 590 L HN 0.054 nan 8.230 nan 0.000 0.435 591 A N -0.678 122.126 122.820 -0.025 0.000 1.930 591 A HA 0.131 4.451 4.320 0.000 0.000 0.215 591 A C 2.442 179.986 177.584 -0.066 0.000 1.176 591 A CA 1.250 53.226 52.037 -0.101 0.000 0.632 591 A CB -0.967 17.871 19.000 -0.270 0.000 0.819 591 A HN 0.543 nan 8.150 nan 0.000 0.445 592 A N -0.971 121.812 122.820 -0.062 0.000 1.858 592 A HA -0.183 4.138 4.320 0.000 0.000 0.216 592 A C 2.007 179.585 177.584 -0.009 0.000 1.190 592 A CA 1.634 53.624 52.037 -0.078 0.000 0.617 592 A CB -1.146 17.796 19.000 -0.096 0.000 0.827 592 A HN 0.863 nan 8.150 nan 0.000 0.443 593 W N 0.748 122.004 121.300 -0.073 0.000 2.318 593 W HA -0.229 4.431 4.660 0.000 0.000 0.313 593 W C 1.953 178.446 176.519 -0.044 0.000 1.221 593 W CA 2.579 59.897 57.345 -0.046 0.000 1.266 593 W CB -0.462 28.984 29.460 -0.024 0.000 1.150 593 W HN 0.111 nan 8.180 nan 0.000 0.496 594 V N 1.918 121.814 119.914 -0.029 0.000 2.407 594 V HA -0.311 3.809 4.120 0.000 0.000 0.248 594 V C 2.750 178.674 176.094 -0.283 0.000 1.055 594 V CA 2.294 64.453 62.300 -0.234 0.000 1.049 594 V CB -1.036 30.800 31.823 0.021 0.000 0.662 594 V HN 0.249 nan 8.190 nan 0.000 0.455 595 R N 0.156 120.541 120.500 -0.191 0.000 2.152 595 R HA -0.139 4.201 4.340 0.000 0.000 0.232 595 R C 1.971 178.146 176.300 -0.208 0.000 1.117 595 R CA 1.318 57.315 56.100 -0.171 0.000 0.981 595 R CB -0.185 30.032 30.300 -0.139 0.000 0.870 595 R HN 0.511 nan 8.270 nan 0.000 0.451 596 Q N -0.063 119.570 119.800 -0.277 0.000 2.432 596 Q HA -0.024 4.316 4.340 0.000 0.000 0.205 596 Q C 1.235 177.038 176.000 -0.329 0.000 0.945 596 Q CA 0.636 56.276 55.803 -0.271 0.000 0.924 596 Q CB 0.372 28.953 28.738 -0.262 0.000 1.016 596 Q HN 0.386 nan 8.270 nan 0.000 0.503 597 Q N 0.198 119.729 119.800 -0.450 0.000 2.360 597 Q HA 0.101 4.441 4.340 0.000 0.000 0.202 597 Q C 0.882 176.734 176.000 -0.246 0.000 0.915 597 Q CA 0.059 55.613 55.803 -0.415 0.000 0.943 597 Q CB 0.391 28.738 28.738 -0.652 0.000 1.064 597 Q HN 0.214 nan 8.270 nan 0.000 0.511 598 V N -1.643 118.152 119.914 -0.198 0.000 2.769 598 V HA 0.491 4.611 4.120 0.000 0.000 0.312 598 V C -1.898 174.130 176.094 -0.109 0.000 1.058 598 V CA -1.804 60.420 62.300 -0.127 0.000 0.952 598 V CB 1.801 33.572 31.823 -0.087 0.000 1.019 598 V HN -0.161 nan 8.190 nan 0.000 0.445 599 P HA 0.187 nan 4.420 nan 0.000 0.245 599 P C 0.663 177.899 177.300 -0.107 0.000 1.206 599 P CA 0.474 63.517 63.100 -0.094 0.000 0.781 599 P CB 0.081 31.728 31.700 -0.088 0.000 0.994 600 A N 1.916 124.681 122.820 -0.090 0.000 2.587 600 A HA -0.016 4.304 4.320 0.000 0.000 0.235 600 A C 0.572 178.084 177.584 -0.120 0.000 1.044 600 A CA 0.212 52.188 52.037 -0.101 0.000 0.754 600 A CB -0.139 18.843 19.000 -0.029 0.000 0.968 600 A HN 0.023 nan 8.150 nan 0.000 0.509 601 R N 2.497 122.887 120.500 -0.184 0.000 2.272 601 R HA 0.219 4.559 4.340 0.000 0.000 0.334 601 R C -0.583 175.719 176.300 0.002 0.000 1.117 601 R CA -0.178 55.866 56.100 -0.093 0.000 0.966 601 R CB -0.139 30.102 30.300 -0.099 0.000 1.049 601 R HN 0.435 nan 8.270 nan 0.000 0.477 602 V N 3.833 123.736 119.914 -0.018 0.000 2.546 602 V HA 0.278 4.398 4.120 0.000 0.000 0.284 602 V C 0.329 176.422 176.094 -0.002 0.000 1.050 602 V CA -0.408 61.883 62.300 -0.016 0.000 0.981 602 V CB 1.805 33.597 31.823 -0.052 0.000 0.990 602 V HN 0.357 nan 8.190 nan 0.000 0.474 603 V N 4.040 123.954 119.914 0.001 0.000 2.888 603 V HA 0.930 5.050 4.120 0.000 0.000 0.309 603 V C -0.249 175.828 176.094 -0.030 0.000 1.114 603 V CA -0.125 62.172 62.300 -0.006 0.000 0.940 603 V CB 2.251 34.086 31.823 0.019 0.000 1.021 603 V HN 1.073 nan 8.190 nan 0.000 0.426 604 A N 5.045 127.838 122.820 -0.045 0.000 2.469 604 A HA 1.055 5.376 4.320 0.000 0.000 0.299 604 A C -1.357 176.182 177.584 -0.075 0.000 1.098 604 A CA -0.589 51.409 52.037 -0.066 0.000 0.737 604 A CB 1.907 20.854 19.000 -0.089 0.000 1.312 604 A HN 1.555 nan 8.150 nan 0.000 0.414 605 L N -2.101 119.073 121.223 -0.081 0.000 2.540 605 L HA 1.010 5.350 4.340 0.000 0.000 0.256 605 L C -0.443 176.376 176.870 -0.085 0.000 1.001 605 L CA -0.420 54.371 54.840 -0.082 0.000 0.843 605 L CB 1.852 43.876 42.059 -0.059 0.000 1.436 605 L HN 0.691 nan 8.230 nan 0.000 0.410 606 T N -1.167 113.337 114.554 -0.082 0.000 2.618 606 T HA 0.983 5.333 4.350 0.000 0.000 0.293 606 T C -0.298 174.393 174.700 -0.014 0.000 1.093 606 T CA -0.500 61.559 62.100 -0.067 0.000 1.061 606 T CB 1.369 70.164 68.868 -0.121 0.000 1.498 606 T HN 1.568 nan 8.240 nan 0.000 0.494 607 G N -0.131 108.674 108.800 0.009 0.000 2.359 607 G HA2 0.315 4.275 3.960 0.000 0.000 0.314 607 G HA3 0.315 4.275 3.960 0.000 0.000 0.314 607 G C 0.279 175.212 174.900 0.055 0.000 1.364 607 G CA 0.116 45.254 45.100 0.062 0.000 0.978 607 G HN 0.588 nan 8.290 nan 0.000 0.615 608 S N -0.864 114.879 115.700 0.072 0.000 2.421 608 S HA 0.376 4.846 4.470 0.000 0.000 0.224 608 S C 1.276 175.900 174.600 0.040 0.000 1.035 608 S CA 1.478 59.710 58.200 0.053 0.000 0.953 608 S CB -0.162 63.074 63.200 0.060 0.000 0.810 608 S HN 1.794 nan 8.310 nan 0.000 0.497 609 S N -1.993 113.736 115.700 0.049 0.000 2.651 609 S HA 0.663 5.133 4.470 0.000 0.000 0.279 609 S C 0.621 175.251 174.600 0.050 0.000 1.148 609 S CA -0.010 58.212 58.200 0.037 0.000 0.837 609 S CB 1.292 64.508 63.200 0.027 0.000 1.138 609 S HN 0.708 nan 8.310 nan 0.000 0.478 610 G N 1.225 110.051 108.800 0.042 0.000 2.267 610 G HA2 -0.331 3.629 3.960 0.000 0.000 0.257 610 G HA3 -0.331 3.629 3.960 0.000 0.000 0.257 610 G C 0.882 175.797 174.900 0.025 0.000 0.998 610 G CA 0.667 45.797 45.100 0.050 0.000 0.620 610 G HN 0.796 nan 8.290 nan 0.000 0.529 611 K N -0.113 120.298 120.400 0.018 0.000 2.052 611 K HA -0.196 4.125 4.320 0.000 0.000 0.215 611 K C 2.555 179.149 176.600 -0.011 0.000 1.053 611 K CA 2.198 58.486 56.287 0.001 0.000 0.934 611 K CB -0.585 31.914 32.500 -0.001 0.000 0.717 611 K HN 0.493 nan 8.250 nan 0.000 0.450 612 T N 0.881 115.432 114.554 -0.006 0.000 2.746 612 T HA -0.134 4.216 4.350 0.000 0.000 0.267 612 T C 2.237 176.921 174.700 -0.026 0.000 1.039 612 T CA 1.779 63.873 62.100 -0.009 0.000 1.142 612 T CB -0.252 68.613 68.868 -0.005 0.000 0.866 612 T HN 0.376 nan 8.240 nan 0.000 0.444 613 S N 1.338 117.026 115.700 -0.020 0.000 2.371 613 S HA -0.025 4.445 4.470 0.000 0.000 0.224 613 S C 2.220 176.783 174.600 -0.062 0.000 1.029 613 S CA 0.585 58.766 58.200 -0.032 0.000 0.978 613 S CB -0.906 62.293 63.200 -0.003 0.000 0.833 613 S HN 0.287 nan 8.310 nan 0.000 0.466 614 V N 3.014 122.894 119.914 -0.057 0.000 2.407 614 V HA -0.192 3.929 4.120 0.000 0.000 0.248 614 V C 2.726 178.755 176.094 -0.109 0.000 1.055 614 V CA 2.128 64.372 62.300 -0.093 0.000 1.049 614 V CB -0.758 31.013 31.823 -0.087 0.000 0.662 614 V HN 0.581 nan 8.190 nan 0.000 0.455 615 K N 0.435 120.781 120.400 -0.089 0.000 1.985 615 K HA -0.159 4.161 4.320 0.000 0.000 0.210 615 K C 1.100 177.585 176.600 -0.191 0.000 1.047 615 K CA 1.220 57.447 56.287 -0.100 0.000 0.932 615 K CB -0.074 32.399 32.500 -0.045 0.000 0.716 615 K HN 0.564 nan 8.250 nan 0.000 0.439 619 A N 1.840 124.524 122.820 -0.226 0.000 1.865 619 A HA 0.286 4.606 4.320 0.000 0.000 0.217 619 A C 2.508 179.964 177.584 -0.214 0.000 1.191 619 A CA 2.535 54.412 52.037 -0.267 0.000 0.623 619 A CB -1.241 17.360 19.000 -0.664 0.000 0.826 619 A HN 0.731 nan 8.150 nan 0.000 0.444 620 A N -0.188 122.496 122.820 -0.226 0.000 1.908 620 A HA -0.136 4.184 4.320 0.000 0.000 0.218 620 A C 2.151 179.664 177.584 -0.119 0.000 1.181 620 A CA 1.683 53.630 52.037 -0.150 0.000 0.627 620 A CB -0.650 18.269 19.000 -0.135 0.000 0.818 620 A HN 0.534 nan 8.150 nan 0.000 0.445 621 I N -0.596 119.893 120.570 -0.135 0.000 2.163 621 I HA -0.243 3.927 4.170 0.000 0.000 0.240 621 I C 2.329 178.345 176.117 -0.169 0.000 1.081 621 I CA 1.217 62.438 61.300 -0.133 0.000 1.353 621 I CB -0.391 37.528 38.000 -0.134 0.000 1.054 621 I HN 0.272 nan 8.210 nan 0.000 0.407 622 L N -0.017 121.074 121.223 -0.220 0.000 2.191 622 L HA -0.176 4.165 4.340 0.000 0.000 0.212 622 L C 2.568 179.304 176.870 -0.223 0.000 1.103 622 L CA 0.872 55.491 54.840 -0.369 0.000 0.769 622 L CB -0.516 41.291 42.059 -0.420 0.000 0.908 622 L HN 0.170 nan 8.230 nan 0.000 0.438 623 S N -0.715 114.931 115.700 -0.090 0.000 2.442 623 S HA -0.159 4.311 4.470 0.000 0.000 0.236 623 S C 1.908 176.503 174.600 -0.007 0.000 1.007 623 S CA 0.917 59.116 58.200 -0.001 0.000 0.965 623 S CB -0.094 63.113 63.200 0.011 0.000 0.773 623 S HN 0.447 nan 8.310 nan 0.000 0.504 624 Q N -0.322 119.447 119.800 -0.052 0.000 2.331 624 Q HA 0.105 4.445 4.340 0.000 0.000 0.203 624 Q C 2.145 178.129 176.000 -0.027 0.000 0.944 624 Q CA 0.638 56.419 55.803 -0.037 0.000 0.892 624 Q CB -0.448 28.257 28.738 -0.055 0.000 0.983 624 Q HN 0.569 nan 8.270 nan 0.000 0.482 625 C N -0.433 118.826 119.300 -0.068 0.000 2.512 625 C HA 0.423 4.883 4.460 0.000 0.000 0.276 625 C C 1.334 176.431 174.990 0.178 0.000 1.368 625 C CA 0.480 59.488 59.018 -0.016 0.000 1.755 625 C CB -0.214 27.388 27.740 -0.230 0.000 2.008 625 C HN 0.557 nan 8.230 nan 0.000 0.511 626 G N -0.075 108.854 108.800 0.216 0.000 2.325 626 G HA2 0.206 4.166 3.960 0.000 0.000 0.297 626 G HA3 0.206 4.166 3.960 0.000 0.000 0.297 626 G C -1.420 173.650 174.900 0.283 0.000 1.448 626 G CA -0.653 44.611 45.100 0.272 0.000 0.838 626 G HN -0.014 nan 8.290 nan 0.000 0.579 627 N N 0.570 119.394 118.700 0.207 0.000 2.315 627 N HA 0.298 5.039 4.740 0.000 0.000 0.270 627 N C 0.318 176.054 175.510 0.377 0.000 1.329 627 N CA 1.226 54.410 53.050 0.224 0.000 0.860 627 N CB 0.539 39.091 38.487 0.108 0.000 1.095 627 N HN 0.923 nan 8.380 nan 0.000 0.487 628 T N 2.130 116.906 114.554 0.370 0.000 2.907 628 T HA 0.579 4.929 4.350 0.000 0.000 0.292 628 T C -0.501 174.276 174.700 0.129 0.000 1.043 628 T CA -1.004 61.285 62.100 0.315 0.000 1.003 628 T CB 1.143 70.168 68.868 0.263 0.000 1.084 628 T HN 0.385 nan 8.240 nan 0.000 0.483 629 L N 4.036 125.129 121.223 -0.217 0.000 2.342 629 L HA 0.901 5.241 4.340 0.000 0.000 0.271 629 L C -1.742 175.035 176.870 -0.155 0.000 1.008 629 L CA -1.201 53.325 54.840 -0.523 0.000 0.818 629 L CB 1.611 42.916 42.059 -1.257 0.000 1.296 629 L HN 0.955 nan 8.230 nan 0.000 0.427 630 Y N 0.029 120.216 120.300 -0.189 0.000 2.552 630 Y HA 0.520 5.070 4.550 0.000 0.000 0.337 630 Y C -0.404 175.437 175.900 -0.099 0.000 1.094 630 Y CA -1.170 56.858 58.100 -0.120 0.000 1.028 630 Y CB 0.504 38.916 38.460 -0.081 0.000 1.321 630 Y HN 0.546 nan 8.280 nan 0.000 0.456 631 T N 2.573 117.133 114.554 0.010 0.000 2.903 631 T HA 0.326 4.676 4.350 0.000 0.000 0.299 631 T C 0.397 175.071 174.700 -0.043 0.000 1.041 631 T CA 0.986 63.066 62.100 -0.033 0.000 1.138 631 T CB -0.051 68.825 68.868 0.013 0.000 1.040 631 T HN 0.901 nan 8.240 nan 0.000 0.524 632 A N 3.217 125.981 122.820 -0.093 0.000 2.310 632 A HA 0.740 5.060 4.320 0.000 0.000 0.299 632 A C 1.288 178.864 177.584 -0.012 0.000 1.147 632 A CA -0.002 51.989 52.037 -0.076 0.000 0.818 632 A CB 0.018 18.960 19.000 -0.097 0.000 1.096 632 A HN 1.411 nan 8.150 nan 0.000 0.495 633 G N 2.019 110.827 108.800 0.013 0.000 2.672 633 G HA2 -0.353 3.607 3.960 0.000 0.000 0.324 633 G HA3 -0.353 3.607 3.960 0.000 0.000 0.324 633 G C 0.195 175.103 174.900 0.013 0.000 1.286 633 G CA 1.170 46.277 45.100 0.012 0.000 1.004 633 G HN 1.076 nan 8.290 nan 0.000 0.548 634 N N 0.179 118.880 118.700 0.002 0.000 2.541 634 N HA 0.436 5.176 4.740 0.000 0.000 0.297 634 N C -0.202 175.308 175.510 -0.000 0.000 1.503 634 N CA -0.182 52.869 53.050 0.001 0.000 0.919 634 N CB 0.553 39.037 38.487 -0.005 0.000 1.305 634 N HN 0.413 nan 8.380 nan 0.000 0.501 635 L N 1.695 122.918 121.223 0.001 0.000 2.415 635 L HA 0.181 4.521 4.340 0.000 0.000 0.269 635 L C 0.346 177.218 176.870 0.002 0.000 1.244 635 L CA -0.175 54.668 54.840 0.006 0.000 1.113 635 L CB -0.424 41.637 42.059 0.004 0.000 1.352 635 L HN 0.351 nan 8.230 nan 0.000 0.433 636 N N 0.551 119.254 118.700 0.005 0.000 2.241 636 N HA 0.025 4.765 4.740 0.000 0.000 0.238 636 N C -0.156 175.359 175.510 0.009 0.000 1.244 636 N CA -0.652 52.396 53.050 -0.002 0.000 0.880 636 N CB 0.048 38.529 38.487 -0.011 0.000 1.179 636 N HN 0.599 nan 8.380 nan 0.000 0.513 637 N N -0.345 118.374 118.700 0.032 0.000 2.776 637 N HA 0.199 4.940 4.740 0.000 0.000 0.319 637 N C -0.091 175.487 175.510 0.113 0.000 1.316 637 N CA -0.517 52.570 53.050 0.062 0.000 0.890 637 N CB 0.649 39.169 38.487 0.055 0.000 1.165 637 N HN -0.125 nan 8.380 nan 0.000 0.596 638 D N -0.269 120.235 120.400 0.173 0.000 2.221 638 D HA -0.157 4.483 4.640 0.000 0.000 0.204 638 D C 1.475 177.938 176.300 0.273 0.000 0.982 638 D CA 1.256 55.420 54.000 0.273 0.000 0.857 638 D CB -0.091 40.882 40.800 0.288 0.000 0.934 638 D HN 0.455 nan 8.370 nan 0.000 0.475 639 I N 0.435 121.147 120.570 0.236 0.000 2.731 639 I HA 0.174 4.344 4.170 0.000 0.000 0.260 639 I C 2.462 178.738 176.117 0.266 0.000 1.138 639 I CA 0.949 62.448 61.300 0.331 0.000 1.461 639 I CB -1.321 36.818 38.000 0.232 0.000 1.128 639 I HN 0.219 nan 8.210 nan 0.000 0.438 640 G N 0.998 109.883 108.800 0.141 0.000 2.403 640 G HA2 -0.081 3.879 3.960 0.000 0.000 0.216 640 G HA3 -0.081 3.879 3.960 0.000 0.000 0.216 640 G C 1.821 176.734 174.900 0.023 0.000 1.154 640 G CA 0.604 45.751 45.100 0.078 0.000 0.784 640 G HN 0.191 nan 8.290 nan 0.000 0.538 641 V N 1.735 121.652 119.914 0.005 0.000 2.261 641 V HA -0.036 4.085 4.120 0.000 0.000 0.246 641 V C -0.629 175.394 176.094 -0.118 0.000 1.047 641 V CA 1.226 63.492 62.300 -0.057 0.000 1.015 641 V CB -0.992 30.792 31.823 -0.065 0.000 0.642 641 V HN 0.237 nan 8.190 nan 0.000 0.446 645 L N 1.652 122.802 121.223 -0.120 0.000 2.017 645 L HA 0.009 4.349 4.340 0.000 0.000 0.208 645 L C 2.070 178.888 176.870 -0.087 0.000 1.073 645 L CA 0.962 55.730 54.840 -0.120 0.000 0.745 645 L CB -0.447 41.524 42.059 -0.146 0.000 0.894 645 L HN 0.218 nan 8.230 nan 0.000 0.432 646 L N 0.068 121.238 121.223 -0.089 0.000 2.450 646 L HA -0.188 4.152 4.340 0.000 0.000 0.225 646 L C 2.419 179.298 176.870 0.015 0.000 1.145 646 L CA 1.539 56.362 54.840 -0.028 0.000 0.801 646 L CB -1.196 40.852 42.059 -0.018 0.000 0.924 646 L HN 0.264 nan 8.230 nan 0.000 0.447 647 R N -1.371 119.129 120.500 0.001 0.000 2.299 647 R HA 0.077 4.417 4.340 0.000 0.000 0.197 647 R C 0.565 176.931 176.300 0.112 0.000 0.971 647 R CA -0.248 55.876 56.100 0.041 0.000 1.030 647 R CB 0.028 30.322 30.300 -0.010 0.000 0.932 647 R HN 0.233 nan 8.270 nan 0.000 0.477 648 L N 1.607 122.868 121.223 0.064 0.000 2.485 648 L HA 0.039 4.380 4.340 0.000 0.000 0.275 648 L C 0.629 177.583 176.870 0.141 0.000 1.207 648 L CA 0.469 55.386 54.840 0.129 0.000 0.855 648 L CB 0.697 42.765 42.059 0.015 0.000 1.114 648 L HN 0.196 nan 8.230 nan 0.000 0.485 649 T N -0.917 113.750 114.554 0.188 0.000 2.864 649 T HA 0.391 4.741 4.350 0.000 0.000 0.299 649 T C -2.446 172.248 174.700 -0.010 0.000 1.166 649 T CA -1.590 60.528 62.100 0.030 0.000 1.007 649 T CB 1.921 70.756 68.868 -0.055 0.000 1.219 649 T HN 0.206 nan 8.240 nan 0.000 0.506 650 P HA 0.140 nan 4.420 nan 0.000 0.239 650 P C 0.824 178.072 177.300 -0.087 0.000 1.184 650 P CA 0.466 63.528 63.100 -0.064 0.000 0.760 650 P CB 0.118 31.780 31.700 -0.064 0.000 0.884 651 E N -1.702 118.409 120.200 -0.147 0.000 2.230 651 E HA -0.019 4.331 4.350 0.000 0.000 0.192 651 E C 0.060 176.514 176.600 -0.243 0.000 0.987 651 E CA 0.449 56.716 56.400 -0.221 0.000 0.841 651 E CB -0.497 29.013 29.700 -0.318 0.000 0.783 651 E HN 0.276 nan 8.360 nan 0.000 0.481 652 Y N 0.986 121.261 120.300 -0.041 0.000 2.359 652 Y HA 0.062 4.612 4.550 0.000 0.000 0.330 652 Y C 1.293 177.141 175.900 -0.086 0.000 1.143 652 Y CA -0.156 57.923 58.100 -0.034 0.000 1.318 652 Y CB 0.797 39.242 38.460 -0.026 0.000 1.234 652 Y HN -0.050 nan 8.280 nan 0.000 0.522 653 D N 1.415 121.864 120.400 0.082 0.000 2.324 653 D HA -0.019 4.621 4.640 0.000 0.000 0.212 653 D C -0.511 175.464 176.300 -0.541 0.000 0.984 653 D CA 1.144 55.009 54.000 -0.225 0.000 0.885 653 D CB 0.349 41.045 40.800 -0.173 0.000 0.996 653 D HN 0.413 nan 8.370 nan 0.000 0.505 654 Y N -0.490 119.866 120.300 0.093 0.000 2.609 654 Y HA 0.587 5.137 4.550 0.000 0.000 0.342 654 Y C -0.557 175.341 175.900 -0.004 0.000 1.058 654 Y CA -1.328 56.795 58.100 0.039 0.000 1.055 654 Y CB 2.230 40.710 38.460 0.033 0.000 1.292 654 Y HN -0.222 nan 8.280 nan 0.000 0.476 655 A N 0.983 123.877 122.820 0.123 0.000 2.456 655 A HA 0.680 5.000 4.320 0.000 0.000 0.288 655 A C -2.084 175.515 177.584 0.025 0.000 1.042 655 A CA -0.598 51.441 52.037 0.003 0.000 0.738 655 A CB 0.781 19.734 19.000 -0.078 0.000 1.266 655 A HN 0.453 nan 8.150 nan 0.000 0.407 656 V N 4.542 124.477 119.914 0.037 0.000 2.311 656 V HA 0.375 4.496 4.120 0.000 0.000 0.275 656 V C -0.481 175.625 176.094 0.020 0.000 1.022 656 V CA -0.409 61.910 62.300 0.032 0.000 0.830 656 V CB 0.843 32.691 31.823 0.042 0.000 1.012 656 V HN 0.679 nan 8.190 nan 0.000 0.452 657 I N 4.011 124.570 120.570 -0.019 0.000 2.339 657 I HA 0.434 4.604 4.170 0.000 0.000 0.290 657 I C 0.299 176.393 176.117 -0.038 0.000 0.994 657 I CA -0.497 60.780 61.300 -0.038 0.000 1.191 657 I CB 1.580 39.540 38.000 -0.067 0.000 1.343 657 I HN 0.676 nan 8.210 nan 0.000 0.458 658 E N 7.113 127.297 120.200 -0.026 0.000 2.200 658 E HA 0.494 4.844 4.350 0.000 0.000 0.283 658 E C -1.416 175.160 176.600 -0.040 0.000 1.015 658 E CA -0.531 55.851 56.400 -0.029 0.000 0.819 658 E CB 1.123 30.818 29.700 -0.008 0.000 1.081 658 E HN 0.492 nan 8.360 nan 0.000 0.397 659 L N 3.800 124.990 121.223 -0.054 0.000 2.322 659 L HA 0.564 4.904 4.340 0.000 0.000 0.281 659 L C 0.524 177.367 176.870 -0.045 0.000 1.014 659 L CA -0.901 53.906 54.840 -0.056 0.000 0.815 659 L CB 1.817 43.826 42.059 -0.083 0.000 1.247 659 L HN 0.589 nan 8.230 nan 0.000 0.421 660 G N 1.751 110.533 108.800 -0.029 0.000 2.471 660 G HA2 0.793 4.753 3.960 0.000 0.000 0.332 660 G HA3 0.793 4.753 3.960 0.000 0.000 0.332 660 G C -1.265 173.619 174.900 -0.027 0.000 1.176 660 G CA -0.504 44.580 45.100 -0.026 0.000 0.949 660 G HN 0.737 nan 8.290 nan 0.000 0.488 661 A N 0.676 123.476 122.820 -0.035 0.000 2.466 661 A HA 0.593 4.914 4.320 0.000 0.000 0.284 661 A C -0.018 177.518 177.584 -0.080 0.000 1.049 661 A CA -0.738 51.274 52.037 -0.041 0.000 0.760 661 A CB 1.228 20.217 19.000 -0.017 0.000 1.274 661 A HN 0.452 nan 8.150 nan 0.000 0.412 662 N N 0.609 119.198 118.700 -0.185 0.000 2.407 662 N HA 0.146 4.886 4.740 0.000 0.000 0.182 662 N C -0.153 175.115 175.510 -0.403 0.000 1.079 662 N CA 0.880 53.721 53.050 -0.347 0.000 0.882 662 N CB 0.238 38.391 38.487 -0.557 0.000 1.106 662 N HN 0.881 nan 8.380 nan 0.000 0.461 663 H N -0.769 118.323 119.070 0.037 0.000 2.985 663 H HA 0.299 4.855 4.556 0.000 0.000 0.360 663 H C -0.597 174.755 175.328 0.041 0.000 1.221 663 H CA -0.811 55.258 56.048 0.036 0.000 1.121 663 H CB 1.412 31.192 29.762 0.031 0.000 1.854 663 H HN -0.222 nan 8.280 nan 0.000 0.551 664 Q N 0.157 120.064 119.800 0.178 0.000 2.392 664 Q HA 0.233 4.573 4.340 0.000 0.000 0.262 664 Q C 0.751 176.818 176.000 0.111 0.000 1.003 664 Q CA 1.152 57.025 55.803 0.116 0.000 0.888 664 Q CB 0.783 29.578 28.738 0.094 0.000 1.260 664 Q HN 1.019 nan 8.270 nan 0.000 0.435 665 G N 1.577 110.433 108.800 0.094 0.000 2.234 665 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 665 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 665 G C 0.747 175.726 174.900 0.132 0.000 0.987 665 G CA 0.581 45.742 45.100 0.102 0.000 0.625 665 G HN 0.735 nan 8.290 nan 0.000 0.532 666 E N 0.051 120.324 120.200 0.122 0.000 2.047 666 E HA 0.016 4.366 4.350 0.000 0.000 0.191 666 E C 2.543 179.219 176.600 0.127 0.000 0.987 666 E CA 1.193 57.673 56.400 0.134 0.000 0.799 666 E CB -0.024 29.727 29.700 0.085 0.000 0.752 666 E HN 0.631 nan 8.360 nan 0.000 0.449 667 I N 1.257 121.863 120.570 0.059 0.000 2.252 667 I HA -0.230 3.940 4.170 0.000 0.000 0.245 667 I C 2.613 178.735 176.117 0.008 0.000 1.102 667 I CA 0.725 62.027 61.300 0.005 0.000 1.385 667 I CB -0.307 37.659 38.000 -0.058 0.000 1.064 667 I HN 0.048 nan 8.210 nan 0.000 0.414 668 A N 1.166 124.010 122.820 0.040 0.000 1.903 668 A HA -0.306 4.014 4.320 0.000 0.000 0.219 668 A C 2.289 179.919 177.584 0.078 0.000 1.191 668 A CA 2.092 54.158 52.037 0.048 0.000 0.638 668 A CB -1.407 17.642 19.000 0.083 0.000 0.823 668 A HN 0.771 nan 8.150 nan 0.000 0.451 669 W N 1.539 122.832 121.300 -0.010 0.000 2.358 669 W HA -0.215 4.445 4.660 0.000 0.000 0.303 669 W C 2.133 178.641 176.519 -0.017 0.000 1.208 669 W CA 2.757 60.099 57.345 -0.005 0.000 1.274 669 W CB -0.569 28.896 29.460 0.008 0.000 1.138 669 W HN 0.522 nan 8.180 nan 0.000 0.515 670 T N -0.145 114.302 114.554 -0.177 0.000 2.821 670 T HA -0.186 4.164 4.350 0.000 0.000 0.267 670 T C 1.828 176.368 174.700 -0.267 0.000 1.046 670 T CA 1.970 63.904 62.100 -0.277 0.000 1.139 670 T CB -1.139 67.674 68.868 -0.091 0.000 0.871 670 T HN 0.086 nan 8.240 nan 0.000 0.454 671 V N 2.022 121.824 119.914 -0.187 0.000 2.548 671 V HA -0.097 4.023 4.120 0.000 0.000 0.249 671 V C 2.941 178.922 176.094 -0.189 0.000 1.055 671 V CA 1.432 63.632 62.300 -0.168 0.000 1.065 671 V CB -1.568 30.175 31.823 -0.134 0.000 0.681 671 V HN 0.675 nan 8.190 nan 0.000 0.462 672 S N 0.909 116.474 115.700 -0.225 0.000 2.419 672 S HA -0.055 4.415 4.470 0.000 0.000 0.233 672 S C 1.873 176.288 174.600 -0.307 0.000 1.016 672 S CA 1.603 59.668 58.200 -0.225 0.000 0.974 672 S CB -0.630 62.454 63.200 -0.194 0.000 0.786 672 S HN 0.610 nan 8.310 nan 0.000 0.492 673 L N 0.725 121.688 121.223 -0.434 0.000 2.127 673 L HA 0.027 4.367 4.340 0.000 0.000 0.203 673 L C 2.895 179.613 176.870 -0.254 0.000 1.080 673 L CA 1.360 55.959 54.840 -0.402 0.000 0.768 673 L CB -1.232 40.516 42.059 -0.519 0.000 0.924 673 L HN 0.326 nan 8.230 nan 0.000 0.444 674 T N -1.206 113.212 114.554 -0.227 0.000 2.821 674 T HA -0.045 4.305 4.350 0.000 0.000 0.267 674 T C 0.573 175.193 174.700 -0.132 0.000 1.046 674 T CA 0.106 62.107 62.100 -0.165 0.000 1.139 674 T CB -0.127 68.653 68.868 -0.147 0.000 0.871 674 T HN 0.182 nan 8.240 nan 0.000 0.454 675 R N 1.279 121.702 120.500 -0.128 0.000 2.965 675 R HA -0.116 4.224 4.340 0.000 0.000 0.245 675 R C -2.794 173.458 176.300 -0.079 0.000 0.861 675 R CA 0.237 56.279 56.100 -0.097 0.000 0.614 675 R CB -1.765 28.479 30.300 -0.093 0.000 1.229 675 R HN 0.417 nan 8.270 nan 0.000 0.503 676 P HA 0.117 nan 4.420 nan 0.000 0.278 676 P C 0.266 177.543 177.300 -0.039 0.000 1.238 676 P CA -0.264 62.803 63.100 -0.055 0.000 0.794 676 P CB 0.716 32.381 31.700 -0.058 0.000 0.955 677 E N 0.948 121.129 120.200 -0.031 0.000 2.216 677 E HA 0.097 4.447 4.350 0.000 0.000 0.192 677 E C 0.504 177.087 176.600 -0.027 0.000 0.988 677 E CA 0.665 57.048 56.400 -0.028 0.000 0.834 677 E CB 0.166 29.853 29.700 -0.021 0.000 0.772 677 E HN 0.548 nan 8.360 nan 0.000 0.479 678 A N 0.554 123.364 122.820 -0.016 0.000 2.486 678 A HA 0.730 5.050 4.320 0.000 0.000 0.300 678 A C -1.443 176.145 177.584 0.006 0.000 1.048 678 A CA -0.422 51.612 52.037 -0.005 0.000 0.696 678 A CB 1.853 20.849 19.000 -0.007 0.000 1.278 678 A HN 0.068 nan 8.150 nan 0.000 0.405 679 A N 1.478 124.325 122.820 0.044 0.000 2.398 679 A HA 0.742 5.062 4.320 0.000 0.000 0.301 679 A C -1.237 176.389 177.584 0.071 0.000 1.041 679 A CA -0.336 51.704 52.037 0.005 0.000 0.711 679 A CB 1.089 20.054 19.000 -0.059 0.000 1.240 679 A HN 1.740 nan 8.150 nan 0.000 0.420 680 L N 2.946 124.167 121.223 -0.003 0.000 2.365 680 L HA 0.803 5.143 4.340 0.000 0.000 0.273 680 L C -1.427 175.431 176.870 -0.020 0.000 1.000 680 L CA -0.746 54.135 54.840 0.068 0.000 0.819 680 L CB 2.085 44.173 42.059 0.048 0.000 1.284 680 L HN 0.421 nan 8.230 nan 0.000 0.418 681 V N 5.325 125.279 119.914 0.068 0.000 2.313 681 V HA 0.198 4.318 4.120 0.000 0.000 0.278 681 V C 0.901 177.144 176.094 0.247 0.000 1.017 681 V CA -0.344 61.979 62.300 0.038 0.000 0.823 681 V CB 0.871 32.663 31.823 -0.053 0.000 1.010 681 V HN 0.929 nan 8.190 nan 0.000 0.443 682 N N 4.065 122.887 118.700 0.203 0.000 2.120 682 N HA -0.104 4.636 4.740 0.000 0.000 0.188 682 N C 0.414 176.099 175.510 0.291 0.000 1.024 682 N CA 1.593 54.819 53.050 0.292 0.000 0.852 682 N CB 0.376 38.965 38.487 0.171 0.000 1.003 682 N HN 0.937 nan 8.380 nan 0.000 0.424 683 N N -1.622 117.208 118.700 0.218 0.000 3.501 683 N HA 0.271 5.012 4.740 0.000 0.000 0.235 683 N C -1.932 173.683 175.510 0.175 0.000 1.442 683 N CA -0.677 52.482 53.050 0.182 0.000 0.872 683 N CB 0.923 39.489 38.487 0.132 0.000 1.414 683 N HN -0.161 nan 8.380 nan 0.000 0.485 684 L N -0.813 120.494 121.223 0.140 0.000 2.333 684 L HA 1.052 5.392 4.340 0.000 0.000 0.263 684 L C -0.299 176.616 176.870 0.075 0.000 1.014 684 L CA -0.850 54.065 54.840 0.125 0.000 0.820 684 L CB 1.722 43.859 42.059 0.129 0.000 1.352 684 L HN 1.118 nan 8.230 nan 0.000 0.421 695 L N 2.452 123.694 121.223 0.031 0.000 1.976 695 L HA 0.192 4.532 4.340 0.000 0.000 0.209 695 L C 2.478 179.374 176.870 0.044 0.000 1.071 695 L CA 2.875 57.736 54.840 0.035 0.000 0.746 695 L CB -1.346 40.725 42.059 0.019 0.000 0.890 695 L HN 0.841 nan 8.230 nan 0.000 0.432 696 A N -0.377 122.461 122.820 0.030 0.000 1.958 696 A HA -0.222 4.098 4.320 0.000 0.000 0.221 696 A C 2.324 179.947 177.584 0.066 0.000 1.178 696 A CA 2.004 54.061 52.037 0.033 0.000 0.642 696 A CB -1.730 17.281 19.000 0.020 0.000 0.816 696 A HN 0.609 nan 8.150 nan 0.000 0.453 697 G N -0.602 108.237 108.800 0.065 0.000 2.402 697 G HA2 -0.093 3.867 3.960 0.000 0.000 0.216 697 G HA3 -0.093 3.867 3.960 0.000 0.000 0.216 697 G C 1.657 176.617 174.900 0.099 0.000 1.162 697 G CA 1.779 46.925 45.100 0.078 0.000 0.777 697 G HN 1.119 nan 8.290 nan 0.000 0.539 698 V N -0.398 119.574 119.914 0.096 0.000 2.548 698 V HA 0.167 4.287 4.120 0.000 0.000 0.249 698 V C 2.857 179.055 176.094 0.173 0.000 1.055 698 V CA 1.932 64.298 62.300 0.110 0.000 1.065 698 V CB -0.714 31.163 31.823 0.090 0.000 0.681 698 V HN 0.394 nan 8.190 nan 0.000 0.462 699 A N 0.817 123.752 122.820 0.191 0.000 1.902 699 A HA -0.216 4.104 4.320 0.000 0.000 0.217 699 A C 2.256 180.119 177.584 0.465 0.000 1.181 699 A CA 2.438 54.667 52.037 0.321 0.000 0.623 699 A CB -0.717 18.358 19.000 0.124 0.000 0.818 699 A HN 0.652 nan 8.150 nan 0.000 0.443 700 K N 0.067 120.639 120.400 0.285 0.000 1.985 700 K HA -0.023 4.297 4.320 0.000 0.000 0.210 700 K C 2.083 178.802 176.600 0.199 0.000 1.047 700 K CA 1.837 58.279 56.287 0.259 0.000 0.932 700 K CB -0.682 31.911 32.500 0.156 0.000 0.716 700 K HN 0.298 nan 8.250 nan 0.000 0.439 701 A N 1.128 124.033 122.820 0.142 0.000 1.948 701 A HA -0.225 4.095 4.320 0.000 0.000 0.220 701 A C 1.886 179.491 177.584 0.035 0.000 1.177 701 A CA 2.056 54.144 52.037 0.086 0.000 0.636 701 A CB -0.549 18.498 19.000 0.078 0.000 0.815 701 A HN 0.288 nan 8.150 nan 0.000 0.449 702 K N -0.832 119.605 120.400 0.063 0.000 2.116 702 K HA -0.036 4.284 4.320 0.000 0.000 0.203 702 K C 2.112 178.506 176.600 -0.344 0.000 1.052 702 K CA 1.085 57.331 56.287 -0.069 0.000 0.952 702 K CB -1.037 31.499 32.500 0.061 0.000 0.729 702 K HN 0.461 nan 8.250 nan 0.000 0.446 703 G N 1.868 110.527 108.800 -0.236 0.000 2.462 703 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 703 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 703 G C 1.276 175.951 174.900 -0.373 0.000 1.121 703 G CA 0.628 45.341 45.100 -0.646 0.000 0.758 703 G HN 0.418 nan 8.290 nan 0.000 0.559 704 E N -0.246 119.839 120.200 -0.192 0.000 2.209 704 E HA -0.103 4.247 4.350 0.000 0.000 0.196 704 E C 2.204 178.672 176.600 -0.219 0.000 0.993 704 E CA 0.330 56.657 56.400 -0.121 0.000 0.819 704 E CB -0.155 29.515 29.700 -0.050 0.000 0.745 704 E HN 0.530 nan 8.360 nan 0.000 0.477 705 I N 0.333 120.650 120.570 -0.422 0.000 2.423 705 I HA -0.284 3.887 4.170 0.000 0.000 0.254 705 I C 1.303 177.174 176.117 -0.410 0.000 1.151 705 I CA 1.152 62.179 61.300 -0.454 0.000 1.421 705 I CB 0.018 37.667 38.000 -0.586 0.000 1.079 705 I HN 0.092 nan 8.210 nan 0.000 0.431 706 F N 0.396 120.239 119.950 -0.178 0.000 2.502 706 F HA -0.149 4.378 4.527 0.000 0.000 0.298 706 F C 2.727 178.481 175.800 -0.077 0.000 1.111 706 F CA 0.809 58.733 58.000 -0.126 0.000 1.445 706 F CB -0.454 38.465 39.000 -0.135 0.000 1.081 706 F HN 0.189 nan 8.300 nan 0.000 0.558 707 S N -0.307 115.427 115.700 0.056 0.000 2.474 707 S HA -0.034 4.436 4.470 0.000 0.000 0.235 707 S C 1.992 176.596 174.600 0.007 0.000 0.997 707 S CA 0.838 59.060 58.200 0.037 0.000 0.949 707 S CB -0.681 62.531 63.200 0.020 0.000 0.766 707 S HN 0.321 nan 8.310 nan 0.000 0.517 708 G N 0.653 109.440 108.800 -0.021 0.000 3.141 708 G HA2 0.395 4.355 3.960 0.000 0.000 0.218 708 G HA3 0.395 4.355 3.960 0.000 0.000 0.218 708 G C 0.186 175.069 174.900 -0.028 0.000 1.170 708 G CA -0.487 44.588 45.100 -0.042 0.000 0.769 708 G HN 0.449 nan 8.290 nan 0.000 0.546 709 L N 2.353 123.579 121.223 0.004 0.000 2.349 709 L HA 0.297 4.638 4.340 0.000 0.000 0.275 709 L C -1.528 175.341 176.870 -0.002 0.000 1.115 709 L CA -1.835 53.010 54.840 0.008 0.000 0.820 709 L CB 1.268 43.355 42.059 0.047 0.000 1.135 709 L HN 0.001 nan 8.230 nan 0.000 0.445 710 P HA 0.043 nan 4.420 nan 0.000 0.273 710 P C 0.025 177.317 177.300 -0.014 0.000 1.250 710 P CA -0.333 62.756 63.100 -0.018 0.000 0.793 710 P CB 0.729 32.413 31.700 -0.027 0.000 1.011 711 E N 0.335 120.528 120.200 -0.013 0.000 2.209 711 E HA -0.210 4.140 4.350 0.000 0.000 0.196 711 E C 1.151 177.739 176.600 -0.021 0.000 0.993 711 E CA 1.670 58.063 56.400 -0.011 0.000 0.819 711 E CB -0.466 29.229 29.700 -0.009 0.000 0.745 711 E HN 0.616 nan 8.360 nan 0.000 0.477 712 N N -0.217 118.466 118.700 -0.028 0.000 2.270 712 N HA 0.047 4.787 4.740 0.000 0.000 0.198 712 N C 0.620 176.095 175.510 -0.059 0.000 1.117 712 N CA 0.094 53.120 53.050 -0.041 0.000 0.845 712 N CB 0.660 39.126 38.487 -0.036 0.000 0.980 712 N HN -0.064 nan 8.380 nan 0.000 0.486 713 G N 0.382 109.153 108.800 -0.048 0.000 2.606 713 G HA2 0.452 4.412 3.960 0.000 0.000 0.252 713 G HA3 0.452 4.412 3.960 0.000 0.000 0.252 713 G C -0.509 174.339 174.900 -0.086 0.000 1.206 713 G CA -0.589 44.478 45.100 -0.055 0.000 0.861 713 G HN 0.249 nan 8.290 nan 0.000 0.561 714 I N 0.758 121.262 120.570 -0.110 0.000 2.404 714 I HA 0.466 4.636 4.170 0.000 0.000 0.293 714 I C 0.426 176.522 176.117 -0.036 0.000 0.992 714 I CA -0.738 60.458 61.300 -0.174 0.000 1.149 714 I CB 2.029 39.808 38.000 -0.367 0.000 1.315 714 I HN 0.507 nan 8.210 nan 0.000 0.446 715 A N 7.831 130.642 122.820 -0.015 0.000 2.260 715 A HA 0.810 5.130 4.320 0.000 0.000 0.314 715 A C -0.408 177.264 177.584 0.146 0.000 1.257 715 A CA -0.347 51.746 52.037 0.094 0.000 0.871 715 A CB 0.395 19.277 19.000 -0.196 0.000 1.166 715 A HN 0.672 nan 8.150 nan 0.000 0.522 719 A N 2.143 124.732 122.820 -0.386 0.000 2.024 719 A HA -0.151 4.169 4.320 0.000 0.000 0.220 719 A C 1.068 178.568 177.584 -0.141 0.000 1.164 719 A CA 1.549 53.474 52.037 -0.185 0.000 0.643 719 A CB -0.112 18.804 19.000 -0.140 0.000 0.806 719 A HN 0.780 nan 8.150 nan 0.000 0.451 720 D N -1.276 119.022 120.400 -0.169 0.000 2.349 720 D HA 0.078 4.718 4.640 0.000 0.000 0.214 720 D C -0.127 176.130 176.300 -0.072 0.000 1.063 720 D CA 0.308 54.247 54.000 -0.102 0.000 0.847 720 D CB 0.153 40.900 40.800 -0.088 0.000 0.933 720 D HN 0.349 nan 8.370 nan 0.000 0.513 721 N N 0.857 119.515 118.700 -0.070 0.000 2.969 721 N HA 0.046 4.786 4.740 0.000 0.000 0.230 721 N C -1.651 173.872 175.510 0.021 0.000 1.397 721 N CA -0.303 52.734 53.050 -0.021 0.000 0.762 721 N CB 0.269 38.761 38.487 0.008 0.000 1.495 721 N HN 0.114 nan 8.380 nan 0.000 0.583 722 N N -0.554 118.119 118.700 -0.044 0.000 3.243 722 N HA 0.459 5.199 4.740 0.000 0.000 0.280 722 N C -1.477 173.733 175.510 -0.501 0.000 1.545 722 N CA -0.688 52.278 53.050 -0.140 0.000 0.854 722 N CB 1.162 39.707 38.487 0.096 0.000 1.612 722 N HN -0.073 nan 8.380 nan 0.000 0.577 723 D N -1.272 118.400 120.400 -1.213 0.000 2.952 723 D HA 0.093 4.733 4.640 0.000 0.000 0.373 723 D C -0.150 175.677 176.300 -0.788 0.000 1.360 723 D CA -0.731 52.641 54.000 -1.046 0.000 0.788 723 D CB -0.305 39.751 40.800 -1.239 0.000 1.192 723 D HN 0.653 nan 8.370 nan 0.000 0.462 724 W N 0.773 121.818 121.300 -0.425 0.000 2.308 724 W HA -0.282 4.378 4.660 0.000 0.000 0.301 724 W C 1.085 177.555 176.519 -0.082 0.000 1.220 724 W CA 0.754 58.037 57.345 -0.104 0.000 1.240 724 W CB -0.192 29.246 29.460 -0.037 0.000 1.142 724 W HN 0.298 nan 8.180 nan 0.000 0.521 725 L N 2.122 123.208 121.223 -0.227 0.000 2.129 725 L HA -0.286 4.054 4.340 0.000 0.000 0.212 725 L C 1.936 178.621 176.870 -0.309 0.000 1.087 725 L CA 2.308 56.975 54.840 -0.290 0.000 0.757 725 L CB -0.846 41.127 42.059 -0.142 0.000 0.896 725 L HN -0.043 nan 8.230 nan 0.000 0.434 726 N N -2.258 116.286 118.700 -0.260 0.000 2.499 726 N HA -0.084 4.656 4.740 0.000 0.000 0.182 726 N C 1.458 176.974 175.510 0.011 0.000 1.034 726 N CA 0.786 53.760 53.050 -0.126 0.000 0.882 726 N CB -0.339 38.106 38.487 -0.071 0.000 1.125 726 N HN 0.330 nan 8.380 nan 0.000 0.436 727 W N 3.554 124.791 121.300 -0.104 0.000 2.387 727 W HA -0.098 4.562 4.660 0.000 0.000 0.272 727 W C 2.182 178.532 176.519 -0.282 0.000 1.224 727 W CA 0.668 57.979 57.345 -0.055 0.000 1.210 727 W CB -0.819 28.708 29.460 0.111 0.000 1.125 727 W HN 0.391 nan 8.180 nan 0.000 0.572 728 Q N 0.081 119.601 119.800 -0.466 0.000 2.291 728 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 728 Q C 1.952 177.769 176.000 -0.304 0.000 0.976 728 Q CA 2.056 57.397 55.803 -0.771 0.000 0.875 728 Q CB -0.977 26.926 28.738 -1.391 0.000 0.927 728 Q HN 0.213 nan 8.270 nan 0.000 0.450 729 S N 0.160 115.757 115.700 -0.171 0.000 2.414 729 S HA -0.051 4.419 4.470 0.000 0.000 0.227 729 S C 1.921 176.514 174.600 -0.012 0.000 1.022 729 S CA 0.592 58.748 58.200 -0.074 0.000 0.958 729 S CB -0.100 63.074 63.200 -0.043 0.000 0.797 729 S HN 0.295 nan 8.310 nan 0.000 0.493 730 V N 2.244 122.180 119.914 0.035 0.000 2.599 730 V HA 0.106 4.226 4.120 0.000 0.000 0.245 730 V C 2.151 178.281 176.094 0.061 0.000 1.046 730 V CA 1.181 63.526 62.300 0.076 0.000 1.065 730 V CB -0.382 31.528 31.823 0.145 0.000 0.703 730 V HN 0.649 nan 8.190 nan 0.000 0.464 731 I N 0.528 121.105 120.570 0.011 0.000 2.546 731 I HA 0.389 4.559 4.170 0.000 0.000 0.255 731 I C 1.462 177.584 176.117 0.009 0.000 1.163 731 I CA 1.361 62.649 61.300 -0.021 0.000 1.457 731 I CB -0.967 36.941 38.000 -0.155 0.000 1.092 731 I HN 0.476 nan 8.210 nan 0.000 0.434 732 G N 0.879 109.678 108.800 -0.002 0.000 2.527 732 G HA2 -0.303 3.657 3.960 0.000 0.000 0.268 732 G HA3 -0.303 3.657 3.960 0.000 0.000 0.268 732 G C 0.476 175.397 174.900 0.035 0.000 1.175 732 G CA 0.242 45.347 45.100 0.008 0.000 0.962 732 G HN 0.507 nan 8.290 nan 0.000 0.560 733 S N 1.257 116.977 115.700 0.034 0.000 2.573 733 S HA 0.363 4.833 4.470 0.000 0.000 0.244 733 S C 0.997 175.618 174.600 0.034 0.000 0.984 733 S CA -0.054 58.173 58.200 0.045 0.000 1.001 733 S CB 0.214 63.432 63.200 0.030 0.000 0.788 733 S HN 0.590 nan 8.310 nan 0.000 0.456 734 R N 1.668 122.186 120.500 0.030 0.000 2.649 734 R HA 0.300 4.640 4.340 0.000 0.000 0.270 734 R C 0.089 176.383 176.300 -0.011 0.000 1.105 734 R CA -0.311 55.789 56.100 0.001 0.000 1.193 734 R CB 0.505 30.802 30.300 -0.006 0.000 1.120 734 R HN 0.197 nan 8.270 nan 0.000 0.561 735 K N 0.604 120.966 120.400 -0.063 0.000 2.382 735 K HA 0.183 4.503 4.320 0.000 0.000 0.275 735 K C -0.801 175.721 176.600 -0.130 0.000 1.009 735 K CA -0.038 56.180 56.287 -0.115 0.000 0.970 735 K CB 0.906 33.277 32.500 -0.215 0.000 0.934 735 K HN 0.142 nan 8.250 nan 0.000 0.479 736 V N 3.343 123.195 119.914 -0.104 0.000 2.638 736 V HA 0.321 4.441 4.120 0.000 0.000 0.306 736 V C -1.138 175.016 176.094 0.101 0.000 1.052 736 V CA -0.962 61.306 62.300 -0.054 0.000 0.885 736 V CB 1.337 33.094 31.823 -0.109 0.000 0.999 736 V HN 0.690 nan 8.190 nan 0.000 0.424 737 W N 3.727 125.067 121.300 0.067 0.000 2.632 737 W HA 0.725 5.385 4.660 0.000 0.000 0.328 737 W C 0.091 176.710 176.519 0.166 0.000 1.044 737 W CA -1.216 56.224 57.345 0.159 0.000 1.225 737 W CB 1.941 31.565 29.460 0.274 0.000 1.396 737 W HN 0.392 nan 8.180 nan 0.000 0.499 738 R N 2.293 123.034 120.500 0.400 0.000 2.778 738 R HA 0.696 5.036 4.340 0.000 0.000 0.277 738 R C -1.144 175.375 176.300 0.366 0.000 0.977 738 R CA -0.757 55.494 56.100 0.252 0.000 0.950 738 R CB 2.131 32.461 30.300 0.050 0.000 1.165 738 R HN 0.305 nan 8.270 nan 0.000 0.474 739 F N -0.964 119.080 119.950 0.157 0.000 2.601 739 F HA 0.790 5.317 4.527 0.000 0.000 0.309 739 F C -0.915 174.944 175.800 0.098 0.000 1.089 739 F CA -0.852 57.241 58.000 0.154 0.000 0.940 739 F CB 2.300 41.356 39.000 0.094 0.000 1.273 739 F HN 0.466 nan 8.300 nan 0.000 0.450 740 S N 2.590 118.381 115.700 0.152 0.000 2.714 740 S HA 0.339 4.809 4.470 0.000 0.000 0.297 740 S C -2.807 171.855 174.600 0.104 0.000 0.993 740 S CA -0.740 57.479 58.200 0.033 0.000 0.844 740 S CB 1.181 64.337 63.200 -0.074 0.000 1.043 740 S HN 0.408 nan 8.310 nan 0.000 0.457 741 P HA -0.005 nan 4.420 nan 0.000 0.217 741 P C 0.429 177.755 177.300 0.042 0.000 1.148 741 P CA 1.905 65.037 63.100 0.054 0.000 0.828 741 P CB -0.225 31.475 31.700 -0.001 0.000 0.783 742 N N -4.422 114.290 118.700 0.020 0.000 2.330 742 N HA 0.259 4.999 4.740 0.000 0.000 0.249 742 N C -0.385 175.122 175.510 -0.005 0.000 1.413 742 N CA -0.381 52.675 53.050 0.009 0.000 0.817 742 N CB 0.067 38.557 38.487 0.004 0.000 1.362 742 N HN -0.153 nan 8.380 nan 0.000 0.499 743 A N 0.453 123.266 122.820 -0.011 0.000 2.462 743 A HA 0.636 4.956 4.320 0.000 0.000 0.243 743 A C 1.655 179.224 177.584 -0.024 0.000 1.076 743 A CA 0.239 52.261 52.037 -0.026 0.000 0.773 743 A CB 0.389 19.362 19.000 -0.045 0.000 1.010 743 A HN 0.494 nan 8.150 nan 0.000 0.493 744 A N 2.336 125.140 122.820 -0.027 0.000 1.892 744 A HA -0.221 4.099 4.320 0.000 0.000 0.218 744 A C 1.585 179.150 177.584 -0.032 0.000 1.188 744 A CA 2.125 54.146 52.037 -0.026 0.000 0.631 744 A CB -0.715 18.270 19.000 -0.025 0.000 0.822 744 A HN 1.113 nan 8.150 nan 0.000 0.447 745 N N -0.306 118.370 118.700 -0.041 0.000 2.362 745 N HA 0.077 4.818 4.740 0.000 0.000 0.204 745 N C 0.210 175.695 175.510 -0.040 0.000 1.166 745 N CA 0.665 53.685 53.050 -0.051 0.000 0.831 745 N CB -0.470 37.970 38.487 -0.078 0.000 1.008 745 N HN 0.260 nan 8.380 nan 0.000 0.472 746 S N -0.401 115.284 115.700 -0.025 0.000 2.584 746 S HA 0.167 4.637 4.470 0.000 0.000 0.273 746 S C 0.360 174.952 174.600 -0.014 0.000 1.311 746 S CA -0.519 57.685 58.200 0.008 0.000 1.034 746 S CB 0.870 64.087 63.200 0.027 0.000 0.939 746 S HN 0.204 nan 8.310 nan 0.000 0.513 747 D N 1.861 122.268 120.400 0.012 0.000 2.380 747 D HA 0.120 4.760 4.640 0.000 0.000 0.212 747 D C -0.657 175.353 176.300 -0.484 0.000 1.021 747 D CA 0.658 54.530 54.000 -0.214 0.000 0.884 747 D CB 0.272 40.939 40.800 -0.221 0.000 1.001 747 D HN 0.457 nan 8.370 nan 0.000 0.506 748 F N 1.289 121.198 119.950 -0.068 0.000 2.382 748 F HA 0.308 4.835 4.527 0.000 0.000 0.361 748 F C 0.421 176.251 175.800 0.050 0.000 1.109 748 F CA -0.358 57.620 58.000 -0.036 0.000 1.031 748 F CB 1.948 40.937 39.000 -0.019 0.000 1.234 748 F HN -0.441 nan 8.300 nan 0.000 0.445 749 T N 2.266 116.880 114.554 0.099 0.000 2.940 749 T HA 0.857 5.207 4.350 0.000 0.000 0.288 749 T C -0.799 174.006 174.700 0.174 0.000 1.033 749 T CA -0.702 61.461 62.100 0.105 0.000 1.033 749 T CB 1.784 70.665 68.868 0.021 0.000 1.079 749 T HN 0.582 nan 8.240 nan 0.000 0.496 750 A N 1.743 124.671 122.820 0.180 0.000 2.356 750 A HA 0.843 5.163 4.320 0.000 0.000 0.310 750 A C 0.014 177.712 177.584 0.190 0.000 1.075 750 A CA -0.698 51.522 52.037 0.305 0.000 0.746 750 A CB 1.147 20.240 19.000 0.155 0.000 1.221 750 A HN 0.894 nan 8.150 nan 0.000 0.443 751 T N -1.171 113.516 114.554 0.223 0.000 2.804 751 T HA 0.553 4.903 4.350 0.000 0.000 0.290 751 T C -0.129 174.662 174.700 0.152 0.000 1.099 751 T CA -0.729 61.447 62.100 0.127 0.000 1.011 751 T CB 0.892 69.802 68.868 0.070 0.000 1.291 751 T HN 0.757 nan 8.240 nan 0.000 0.523 752 N N 0.287 119.044 118.700 0.094 0.000 2.716 752 N HA -0.130 4.610 4.740 0.000 0.000 0.250 752 N C -0.476 175.124 175.510 0.150 0.000 1.033 752 N CA 0.434 53.539 53.050 0.092 0.000 0.727 752 N CB -1.444 37.088 38.487 0.074 0.000 0.950 752 N HN 0.740 nan 8.380 nan 0.000 0.541 753 I N 1.128 121.780 120.570 0.136 0.000 2.483 753 I HA -0.065 4.106 4.170 0.000 0.000 0.291 753 I C 0.836 177.054 176.117 0.168 0.000 1.112 753 I CA 0.237 61.622 61.300 0.142 0.000 1.350 753 I CB 0.035 38.060 38.000 0.041 0.000 1.419 753 I HN 0.115 nan 8.210 nan 0.000 0.523 754 H N 6.674 125.783 119.070 0.065 0.000 2.762 754 H HA 0.358 4.914 4.556 0.000 0.000 0.310 754 H C -0.978 174.371 175.328 0.035 0.000 1.004 754 H CA -0.695 55.376 56.048 0.039 0.000 1.267 754 H CB 1.299 31.085 29.762 0.040 0.000 1.437 754 H HN 0.341 nan 8.280 nan 0.000 0.498 755 V N 5.275 125.198 119.914 0.015 0.000 2.924 755 V HA 0.481 4.601 4.120 0.000 0.000 0.305 755 V C -0.352 175.558 176.094 -0.306 0.000 1.073 755 V CA 0.480 62.715 62.300 -0.108 0.000 1.098 755 V CB 1.042 32.842 31.823 -0.039 0.000 1.000 755 V HN 0.968 nan 8.190 nan 0.000 0.484 756 T N 3.454 117.867 114.554 -0.234 0.000 2.865 756 T HA 0.313 4.664 4.350 0.000 0.000 0.294 756 T C 0.977 175.551 174.700 -0.211 0.000 1.119 756 T CA 0.141 62.081 62.100 -0.267 0.000 1.007 756 T CB 1.739 70.469 68.868 -0.230 0.000 1.225 756 T HN 0.959 nan 8.240 nan 0.000 0.515 757 S N 0.729 116.247 115.700 -0.304 0.000 2.387 757 S HA -0.222 4.248 4.470 0.000 0.000 0.230 757 S C 1.425 175.861 174.600 -0.274 0.000 1.035 757 S CA 1.413 59.426 58.200 -0.311 0.000 1.014 757 S CB -0.659 62.288 63.200 -0.422 0.000 0.836 757 S HN 0.737 nan 8.310 nan 0.000 0.466 758 H N 2.039 121.069 119.070 -0.066 0.000 2.390 758 H HA 0.502 5.058 4.556 0.000 0.000 0.314 758 H C 1.435 176.721 175.328 -0.070 0.000 1.053 758 H CA 1.008 57.017 56.048 -0.066 0.000 1.353 758 H CB -0.987 28.739 29.762 -0.060 0.000 1.464 758 H HN 0.570 nan 8.280 nan 0.000 0.571 759 G N -0.507 108.348 108.800 0.091 0.000 2.866 759 G HA2 0.345 4.305 3.960 0.000 0.000 0.289 759 G HA3 0.345 4.305 3.960 0.000 0.000 0.289 759 G C -0.964 173.936 174.900 0.001 0.000 1.396 759 G CA -0.592 44.518 45.100 0.017 0.000 0.848 759 G HN 0.203 nan 8.290 nan 0.000 0.515 760 T N 1.283 115.839 114.554 0.004 0.000 2.870 760 T HA 0.376 4.726 4.350 0.000 0.000 0.300 760 T C -0.215 174.575 174.700 0.149 0.000 0.989 760 T CA 0.339 62.456 62.100 0.028 0.000 1.139 760 T CB 0.943 69.794 68.868 -0.028 0.000 0.920 760 T HN 0.397 nan 8.240 nan 0.000 0.537 761 E N 1.972 122.268 120.200 0.160 0.000 2.195 761 E HA 0.675 5.026 4.350 0.000 0.000 0.271 761 E C -0.694 176.129 176.600 0.372 0.000 0.923 761 E CA -0.797 55.731 56.400 0.213 0.000 0.790 761 E CB 1.629 31.389 29.700 0.101 0.000 1.155 761 E HN 0.679 nan 8.360 nan 0.000 0.402 762 F N -2.082 117.877 119.950 0.016 0.000 2.807 762 F HA 0.424 4.951 4.527 0.000 0.000 0.316 762 F C -1.213 174.592 175.800 0.008 0.000 1.162 762 F CA -1.167 56.845 58.000 0.020 0.000 0.910 762 F CB 1.081 40.090 39.000 0.015 0.000 1.314 762 F HN 0.091 nan 8.300 nan 0.000 0.454 763 T N 3.778 118.327 114.554 -0.009 0.000 2.733 763 T HA 0.447 4.798 4.350 0.000 0.000 0.294 763 T C -0.828 173.785 174.700 -0.146 0.000 0.956 763 T CA -0.367 61.644 62.100 -0.148 0.000 0.987 763 T CB 1.091 69.936 68.868 -0.039 0.000 0.920 763 T HN 0.619 nan 8.240 nan 0.000 0.470 764 L N 4.627 125.642 121.223 -0.346 0.000 2.278 764 L HA 0.353 4.694 4.340 0.000 0.000 0.287 764 L C -0.257 176.560 176.870 -0.089 0.000 1.072 764 L CA -0.246 54.486 54.840 -0.180 0.000 0.819 764 L CB 0.313 42.194 42.059 -0.296 0.000 1.176 764 L HN 0.630 nan 8.230 nan 0.000 0.435 765 Q N 4.150 123.927 119.800 -0.039 0.000 2.348 765 Q HA 0.553 4.893 4.340 0.000 0.000 0.265 765 Q C -0.206 175.641 176.000 -0.254 0.000 0.998 765 Q CA -0.579 55.154 55.803 -0.117 0.000 0.831 765 Q CB 1.749 30.434 28.738 -0.088 0.000 1.251 765 Q HN 0.785 nan 8.270 nan 0.000 0.456 766 T N -1.832 112.512 114.554 -0.351 0.000 2.905 766 T HA 0.448 4.798 4.350 0.000 0.000 0.283 766 T C -2.098 172.245 174.700 -0.595 0.000 1.031 766 T CA -2.103 59.563 62.100 -0.723 0.000 1.002 766 T CB 1.231 69.838 68.868 -0.436 0.000 1.200 766 T HN 0.105 nan 8.240 nan 0.000 0.560 767 P HA 0.023 nan 4.420 nan 0.000 0.222 767 P C 1.286 178.475 177.300 -0.184 0.000 1.147 767 P CA 1.051 63.923 63.100 -0.379 0.000 0.790 767 P CB -0.065 31.446 31.700 -0.316 0.000 0.780 768 T N -5.728 108.727 114.554 -0.164 0.000 3.054 768 T HA 0.536 4.886 4.350 0.000 0.000 0.255 768 T C 0.780 175.431 174.700 -0.082 0.000 1.035 768 T CA 0.214 62.268 62.100 -0.077 0.000 0.941 768 T CB 0.274 69.129 68.868 -0.022 0.000 1.026 768 T HN 0.187 nan 8.240 nan 0.000 0.533 769 G N 0.099 108.827 108.800 -0.119 0.000 2.356 769 G HA2 0.419 4.379 3.960 0.000 0.000 0.288 769 G HA3 0.419 4.379 3.960 0.000 0.000 0.288 769 G C -1.620 173.212 174.900 -0.113 0.000 1.302 769 G CA -0.602 44.439 45.100 -0.098 0.000 0.887 769 G HN 0.297 nan 8.290 nan 0.000 0.521 770 S N -1.229 114.415 115.700 -0.093 0.000 2.568 770 S HA 0.844 5.314 4.470 0.000 0.000 0.293 770 S C -0.420 174.120 174.600 -0.100 0.000 1.089 770 S CA -0.202 57.939 58.200 -0.099 0.000 0.945 770 S CB 1.851 64.999 63.200 -0.087 0.000 1.077 770 S HN 1.772 nan 8.310 nan 0.000 0.485 771 V N -0.270 119.565 119.914 -0.131 0.000 2.668 771 V HA 0.539 4.660 4.120 0.000 0.000 0.304 771 V C -1.561 174.405 176.094 -0.213 0.000 1.071 771 V CA -1.214 61.000 62.300 -0.143 0.000 0.894 771 V CB 1.548 33.291 31.823 -0.133 0.000 1.008 771 V HN 0.763 nan 8.190 nan 0.000 0.425 772 D N 3.388 123.684 120.400 -0.172 0.000 2.317 772 D HA 0.518 5.159 4.640 0.000 0.000 0.252 772 D C 0.265 176.437 176.300 -0.214 0.000 1.174 772 D CA 0.004 53.887 54.000 -0.194 0.000 0.866 772 D CB 1.853 42.592 40.800 -0.102 0.000 1.127 772 D HN 0.870 nan 8.370 nan 0.000 0.467 773 V N 0.484 120.199 119.914 -0.332 0.000 3.126 773 V HA 0.686 4.806 4.120 0.000 0.000 0.314 773 V C -1.145 174.879 176.094 -0.117 0.000 1.138 773 V CA -1.188 60.962 62.300 -0.250 0.000 1.034 773 V CB 1.876 33.503 31.823 -0.326 0.000 1.075 773 V HN 0.363 nan 8.190 nan 0.000 0.442 774 L N 2.729 123.928 121.223 -0.039 0.000 2.401 774 L HA 0.613 4.953 4.340 0.000 0.000 0.263 774 L C -0.818 176.082 176.870 0.050 0.000 1.004 774 L CA -0.490 54.368 54.840 0.029 0.000 0.881 774 L CB 0.987 43.045 42.059 -0.001 0.000 1.219 774 L HN 0.848 nan 8.230 nan 0.000 0.441 775 L N 8.350 129.652 121.223 0.132 0.000 2.407 775 L HA 0.468 4.808 4.340 0.000 0.000 0.282 775 L C -1.741 175.149 176.870 0.034 0.000 1.110 775 L CA -1.186 53.713 54.840 0.098 0.000 0.863 775 L CB 0.297 42.451 42.059 0.159 0.000 1.207 775 L HN 0.474 nan 8.230 nan 0.000 0.454 776 P HA 0.043 nan 4.420 nan 0.000 0.261 776 P C -0.910 176.370 177.300 -0.034 0.000 1.650 776 P CA 0.368 63.460 63.100 -0.013 0.000 0.846 776 P CB -0.322 31.358 31.700 -0.034 0.000 1.758 777 L N 0.569 121.769 121.223 -0.039 0.000 2.439 777 L HA 0.457 4.797 4.340 0.000 0.000 0.270 777 L C -2.575 174.248 176.870 -0.079 0.000 0.972 777 L CA -2.694 52.109 54.840 -0.062 0.000 0.836 777 L CB 2.624 44.641 42.059 -0.070 0.000 1.255 777 L HN -0.257 nan 8.230 nan 0.000 0.404 778 P HA 0.288 nan 4.420 nan 0.000 0.267 778 P C -0.145 177.106 177.300 -0.081 0.000 1.205 778 P CA 0.225 63.294 63.100 -0.052 0.000 0.765 778 P CB 0.837 32.526 31.700 -0.018 0.000 0.828 779 G N 2.868 111.610 108.800 -0.098 0.000 3.313 779 G HA2 -0.066 3.894 3.960 0.000 0.000 0.659 779 G HA3 -0.066 3.894 3.960 0.000 0.000 0.659 779 G C 0.551 175.290 174.900 -0.267 0.000 1.286 779 G CA -0.454 44.546 45.100 -0.166 0.000 1.077 779 G HN 0.629 nan 8.290 nan 0.000 0.551 780 R N 1.566 122.011 120.500 -0.093 0.000 2.189 780 R HA -0.106 4.234 4.340 0.000 0.000 0.223 780 R C 1.985 178.222 176.300 -0.105 0.000 1.092 780 R CA 1.881 57.921 56.100 -0.100 0.000 0.989 780 R CB -0.430 29.852 30.300 -0.030 0.000 0.876 780 R HN 0.858 nan 8.270 nan 0.000 0.457 781 H N 0.056 119.107 119.070 -0.031 0.000 2.491 781 H HA 0.057 4.613 4.556 0.000 0.000 0.290 781 H C 0.616 175.936 175.328 -0.013 0.000 1.050 781 H CA 0.872 56.913 56.048 -0.011 0.000 1.309 781 H CB -0.350 29.414 29.762 0.003 0.000 1.392 781 H HN 0.273 nan 8.280 nan 0.000 0.554 782 N N 0.903 119.298 118.700 -0.509 0.000 2.457 782 N HA 0.028 4.768 4.740 0.000 0.000 0.180 782 N C 2.014 177.416 175.510 -0.180 0.000 1.050 782 N CA 0.376 53.245 53.050 -0.301 0.000 0.906 782 N CB 0.223 38.508 38.487 -0.337 0.000 0.968 782 N HN 0.456 nan 8.380 nan 0.000 0.445 783 I N 0.851 121.290 120.570 -0.218 0.000 2.252 783 I HA -0.173 3.997 4.170 0.000 0.000 0.245 783 I C 2.334 178.382 176.117 -0.116 0.000 1.102 783 I CA 0.724 61.849 61.300 -0.292 0.000 1.385 783 I CB -0.296 37.428 38.000 -0.460 0.000 1.064 783 I HN 0.022 nan 8.210 nan 0.000 0.414 784 A N 1.128 123.940 122.820 -0.014 0.000 1.933 784 A HA -0.211 4.109 4.320 0.000 0.000 0.218 784 A C 2.028 179.694 177.584 0.137 0.000 1.175 784 A CA 1.909 54.042 52.037 0.160 0.000 0.628 784 A CB -0.658 18.466 19.000 0.207 0.000 0.814 784 A HN 0.390 nan 8.150 nan 0.000 0.444 785 N N 0.511 119.234 118.700 0.038 0.000 2.166 785 N HA -0.089 4.651 4.740 0.000 0.000 0.186 785 N C 1.812 177.252 175.510 -0.117 0.000 1.019 785 N CA 1.579 54.604 53.050 -0.042 0.000 0.856 785 N CB -0.564 37.909 38.487 -0.023 0.000 0.993 785 N HN 0.467 nan 8.380 nan 0.000 0.426 786 A N 0.851 123.635 122.820 -0.059 0.000 1.930 786 A HA -0.030 4.290 4.320 0.000 0.000 0.217 786 A C 2.267 179.825 177.584 -0.043 0.000 1.175 786 A CA 0.851 52.879 52.037 -0.015 0.000 0.627 786 A CB -0.575 18.497 19.000 0.120 0.000 0.815 786 A HN 0.218 nan 8.150 nan 0.000 0.443 787 L N -1.029 120.173 121.223 -0.035 0.000 2.072 787 L HA -0.128 4.212 4.340 0.000 0.000 0.205 787 L C 3.091 179.665 176.870 -0.495 0.000 1.079 787 L CA 0.970 55.779 54.840 -0.051 0.000 0.752 787 L CB -0.722 41.465 42.059 0.213 0.000 0.906 787 L HN 0.428 nan 8.230 nan 0.000 0.436 788 A N 0.479 122.750 122.820 -0.914 0.000 1.877 788 A HA -0.168 4.153 4.320 0.000 0.000 0.216 788 A C 2.552 179.756 177.584 -0.633 0.000 1.186 788 A CA 1.818 53.071 52.037 -1.306 0.000 0.620 788 A CB -0.703 17.545 19.000 -1.254 0.000 0.822 788 A HN 0.384 nan 8.150 nan 0.000 0.443 789 A N -0.275 122.302 122.820 -0.406 0.000 1.933 789 A HA 0.177 4.497 4.320 0.000 0.000 0.218 789 A C 2.473 179.903 177.584 -0.256 0.000 1.175 789 A CA 2.018 53.895 52.037 -0.266 0.000 0.628 789 A CB -0.929 17.960 19.000 -0.184 0.000 0.814 789 A HN 1.047 nan 8.150 nan 0.000 0.444 790 A N -0.092 122.567 122.820 -0.268 0.000 1.902 790 A HA 0.171 4.491 4.320 0.000 0.000 0.217 790 A C 2.501 179.838 177.584 -0.412 0.000 1.181 790 A CA 2.069 53.980 52.037 -0.210 0.000 0.623 790 A CB -0.993 17.981 19.000 -0.043 0.000 0.818 790 A HN 0.980 nan 8.150 nan 0.000 0.443 791 A N -0.330 121.963 122.820 -0.879 0.000 1.845 791 A HA -0.041 4.279 4.320 0.000 0.000 0.215 791 A C 2.200 179.637 177.584 -0.245 0.000 1.195 791 A CA 1.447 52.821 52.037 -1.105 0.000 0.616 791 A CB -0.760 17.541 19.000 -1.166 0.000 0.832 791 A HN 0.451 nan 8.150 nan 0.000 0.443 792 L N 0.157 121.254 121.223 -0.211 0.000 2.042 792 L HA -0.137 4.203 4.340 0.000 0.000 0.210 792 L C 1.372 178.224 176.870 -0.030 0.000 1.076 792 L CA 0.963 55.760 54.840 -0.071 0.000 0.749 792 L CB -0.472 41.520 42.059 -0.112 0.000 0.893 792 L HN 0.335 nan 8.230 nan 0.000 0.432 796 V N -0.366 119.633 119.914 0.142 0.000 3.006 796 V HA 0.835 4.955 4.120 0.000 0.000 0.357 796 V C 1.231 177.457 176.094 0.221 0.000 1.377 796 V CA 0.244 62.649 62.300 0.174 0.000 1.198 796 V CB -0.551 31.418 31.823 0.242 0.000 1.216 796 V HN 1.590 nan 8.190 nan 0.000 0.520 797 G N -0.113 108.786 108.800 0.165 0.000 2.134 797 G HA2 0.028 3.988 3.960 0.000 0.000 0.209 797 G HA3 0.028 3.988 3.960 0.000 0.000 0.209 797 G C 0.322 175.273 174.900 0.084 0.000 0.993 797 G CA 0.053 45.239 45.100 0.144 0.000 0.669 797 G HN 1.684 nan 8.290 nan 0.000 0.519 798 A N 0.652 123.493 122.820 0.034 0.000 2.440 798 A HA 0.730 5.050 4.320 0.000 0.000 0.251 798 A C 0.994 178.583 177.584 0.008 0.000 1.089 798 A CA 1.037 53.054 52.037 -0.034 0.000 0.779 798 A CB 0.261 19.211 19.000 -0.083 0.000 1.022 798 A HN 1.707 nan 8.150 nan 0.000 0.492 799 T N 0.734 115.283 114.554 -0.009 0.000 2.918 799 T HA 0.471 4.821 4.350 0.000 0.000 0.283 799 T C 1.266 175.955 174.700 -0.019 0.000 1.001 799 T CA -0.682 61.417 62.100 -0.002 0.000 1.041 799 T CB 0.621 69.487 68.868 -0.003 0.000 1.028 799 T HN 0.392 nan 8.240 nan 0.000 0.511 800 L N 0.451 121.661 121.223 -0.021 0.000 2.013 800 L HA -0.145 4.196 4.340 0.000 0.000 0.212 800 L C 2.350 179.190 176.870 -0.049 0.000 1.073 800 L CA 1.790 56.607 54.840 -0.039 0.000 0.753 800 L CB -0.753 41.278 42.059 -0.047 0.000 0.890 800 L HN 0.724 nan 8.230 nan 0.000 0.432 801 D N -0.198 120.176 120.400 -0.042 0.000 2.221 801 D HA -0.161 4.479 4.640 0.000 0.000 0.204 801 D C 2.124 178.396 176.300 -0.048 0.000 0.982 801 D CA 1.272 55.245 54.000 -0.044 0.000 0.857 801 D CB -0.026 40.754 40.800 -0.033 0.000 0.934 801 D HN 0.377 nan 8.370 nan 0.000 0.475 802 A N -0.005 122.786 122.820 -0.048 0.000 1.935 802 A HA -0.000 4.320 4.320 0.000 0.000 0.214 802 A C 2.116 179.659 177.584 -0.070 0.000 1.178 802 A CA 0.413 52.414 52.037 -0.060 0.000 0.640 802 A CB -0.415 18.543 19.000 -0.070 0.000 0.825 802 A HN 0.152 nan 8.150 nan 0.000 0.447 803 I N -0.292 120.238 120.570 -0.066 0.000 2.226 803 I HA -0.260 3.910 4.170 0.000 0.000 0.245 803 I C 2.535 178.608 176.117 -0.073 0.000 1.100 803 I CA 1.825 63.084 61.300 -0.068 0.000 1.374 803 I CB -0.187 37.781 38.000 -0.054 0.000 1.057 803 I HN 0.400 nan 8.210 nan 0.000 0.413 804 K N 1.451 121.804 120.400 -0.077 0.000 1.984 804 K HA -0.167 4.153 4.320 0.000 0.000 0.209 804 K C 2.250 178.808 176.600 -0.068 0.000 1.046 804 K CA 1.555 57.792 56.287 -0.084 0.000 0.934 804 K CB -0.180 32.269 32.500 -0.086 0.000 0.717 804 K HN 0.231 nan 8.250 nan 0.000 0.438 805 A N 0.666 123.449 122.820 -0.060 0.000 1.940 805 A HA -0.087 4.233 4.320 0.000 0.000 0.219 805 A C 2.308 179.860 177.584 -0.055 0.000 1.176 805 A CA 1.999 54.004 52.037 -0.053 0.000 0.631 805 A CB -1.131 17.841 19.000 -0.046 0.000 0.814 805 A HN 0.607 nan 8.150 nan 0.000 0.446 806 G N -0.631 108.131 108.800 -0.063 0.000 2.394 806 G HA2 -0.014 3.946 3.960 0.000 0.000 0.214 806 G HA3 -0.014 3.946 3.960 0.000 0.000 0.214 806 G C 1.371 176.232 174.900 -0.065 0.000 1.176 806 G CA 0.920 45.978 45.100 -0.070 0.000 0.786 806 G HN 0.335 nan 8.290 nan 0.000 0.533 807 L N 1.507 122.694 121.223 -0.059 0.000 2.079 807 L HA 0.065 4.405 4.340 0.000 0.000 0.210 807 L C 3.159 180.008 176.870 -0.036 0.000 1.081 807 L CA 1.611 56.426 54.840 -0.042 0.000 0.752 807 L CB -0.723 41.321 42.059 -0.026 0.000 0.896 807 L HN 0.281 nan 8.230 nan 0.000 0.433 808 A N -0.009 122.784 122.820 -0.044 0.000 2.125 808 A HA -0.172 4.148 4.320 0.000 0.000 0.219 808 A C 1.598 179.154 177.584 -0.046 0.000 1.156 808 A CA 1.572 53.582 52.037 -0.044 0.000 0.671 808 A CB -0.831 18.139 19.000 -0.051 0.000 0.794 808 A HN 0.698 nan 8.150 nan 0.000 0.459 809 N N -0.694 117.979 118.700 -0.046 0.000 2.203 809 N HA 0.226 4.966 4.740 0.000 0.000 0.207 809 N C -0.025 175.461 175.510 -0.040 0.000 1.130 809 N CA -0.333 52.691 53.050 -0.043 0.000 0.861 809 N CB -0.620 37.845 38.487 -0.038 0.000 1.005 809 N HN 0.373 nan 8.380 nan 0.000 0.507 810 L N 0.372 121.569 121.223 -0.043 0.000 2.499 810 L HA 0.097 4.437 4.340 0.000 0.000 0.281 810 L C 0.661 177.512 176.870 -0.031 0.000 1.234 810 L CA 0.307 55.123 54.840 -0.040 0.000 0.839 810 L CB 0.262 42.295 42.059 -0.043 0.000 1.104 810 L HN 0.095 nan 8.230 nan 0.000 0.500 811 K N 1.281 121.673 120.400 -0.013 0.000 2.395 811 K HA 0.762 5.082 4.320 0.000 0.000 0.247 811 K C -0.734 175.893 176.600 0.045 0.000 0.973 811 K CA -0.723 55.568 56.287 0.007 0.000 0.828 811 K CB 2.237 34.763 32.500 0.045 0.000 1.272 811 K HN 0.635 nan 8.250 nan 0.000 0.439 812 A N 0.925 123.795 122.820 0.082 0.000 2.281 812 A HA 0.534 4.854 4.320 0.000 0.000 0.329 812 A C -0.451 177.385 177.584 0.420 0.000 1.122 812 A CA -0.672 51.483 52.037 0.198 0.000 0.850 812 A CB 0.846 19.923 19.000 0.128 0.000 1.207 812 A HN 0.336 nan 8.150 nan 0.000 0.495 813 V N 3.050 123.121 119.914 0.262 0.000 2.405 813 V HA 0.187 4.307 4.120 0.000 0.000 0.264 813 V C -2.119 173.980 176.094 0.009 0.000 1.048 813 V CA -1.128 61.235 62.300 0.104 0.000 0.966 813 V CB 0.613 32.438 31.823 0.005 0.000 1.015 813 V HN 0.719 nan 8.190 nan 0.000 0.477 814 P HA 0.019 nan 4.420 nan 0.000 0.261 814 P C 1.013 178.158 177.300 -0.258 0.000 1.158 814 P CA 1.787 64.364 63.100 -0.872 0.000 0.758 814 P CB 0.300 31.527 31.700 -0.788 0.000 0.763 815 G N 2.464 111.210 108.800 -0.090 0.000 2.179 815 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 815 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 815 G C 0.065 175.048 174.900 0.138 0.000 0.977 815 G CA -0.412 44.736 45.100 0.079 0.000 0.641 815 G HN 0.560 nan 8.290 nan 0.000 0.533 816 R N -0.023 120.560 120.500 0.137 0.000 2.513 816 R HA 0.500 4.840 4.340 0.000 0.000 0.283 816 R C 0.966 177.372 176.300 0.178 0.000 1.535 816 R CA -0.810 55.368 56.100 0.130 0.000 1.315 816 R CB 0.178 30.519 30.300 0.069 0.000 1.163 816 R HN 0.607 nan 8.270 nan 0.000 0.573 817 L N 1.711 123.032 121.223 0.163 0.000 3.851 817 L HA -0.263 4.078 4.340 0.000 0.000 0.438 817 L C -0.037 176.924 176.870 0.153 0.000 1.171 817 L CA 0.575 55.499 54.840 0.141 0.000 0.895 817 L CB -1.255 40.885 42.059 0.135 0.000 1.800 817 L HN 0.430 nan 8.230 nan 0.000 0.960 818 F N 3.979 123.951 119.950 0.037 0.000 2.438 818 F HA 0.401 4.928 4.527 0.000 0.000 0.360 818 F C -1.412 174.403 175.800 0.026 0.000 1.118 818 F CA -2.265 55.751 58.000 0.027 0.000 1.164 818 F CB 0.657 39.673 39.000 0.028 0.000 1.131 818 F HN -0.136 nan 8.300 nan 0.000 0.527 819 P HA 0.294 nan 4.420 nan 0.000 0.284 819 P C -0.857 176.195 177.300 -0.413 0.000 1.253 819 P CA -0.117 62.798 63.100 -0.307 0.000 0.800 819 P CB 1.850 33.417 31.700 -0.223 0.000 0.961 820 I N 1.985 122.471 120.570 -0.140 0.000 2.476 820 I HA 0.167 4.338 4.170 0.000 0.000 0.281 820 I C 0.123 176.224 176.117 -0.026 0.000 1.040 820 I CA -0.861 60.407 61.300 -0.054 0.000 1.094 820 I CB 2.012 40.058 38.000 0.076 0.000 1.219 820 I HN 0.199 nan 8.210 nan 0.000 0.450 821 Q N 5.635 125.417 119.800 -0.030 0.000 2.300 821 Q HA 0.235 4.575 4.340 0.000 0.000 0.262 821 Q C 0.359 176.363 176.000 0.008 0.000 1.109 821 Q CA 0.380 56.179 55.803 -0.005 0.000 0.905 821 Q CB 0.842 29.583 28.738 0.005 0.000 1.280 821 Q HN 0.684 nan 8.270 nan 0.000 0.426 822 L N 1.828 123.058 121.223 0.010 0.000 2.007 822 L HA 0.166 4.506 4.340 0.000 0.000 0.205 822 L C 0.831 177.708 176.870 0.012 0.000 1.073 822 L CA 1.102 55.950 54.840 0.014 0.000 0.744 822 L CB -0.331 41.735 42.059 0.013 0.000 0.898 822 L HN 0.676 nan 8.230 nan 0.000 0.435 823 A N -1.264 121.563 122.820 0.010 0.000 2.524 823 A HA 0.475 4.795 4.320 0.000 0.000 0.303 823 A C -1.177 176.414 177.584 0.012 0.000 1.195 823 A CA -0.698 51.345 52.037 0.011 0.000 0.651 823 A CB 0.442 19.447 19.000 0.007 0.000 1.323 823 A HN 0.074 nan 8.150 nan 0.000 0.479 824 E N 2.150 122.358 120.200 0.014 0.000 2.529 824 E HA 0.188 4.538 4.350 0.000 0.000 0.259 824 E C 0.015 176.617 176.600 0.003 0.000 0.966 824 E CA 0.872 57.281 56.400 0.016 0.000 0.937 824 E CB -0.104 29.606 29.700 0.016 0.000 0.923 824 E HN 0.508 nan 8.360 nan 0.000 0.468 825 N N 2.170 120.864 118.700 -0.011 0.000 2.681 825 N HA -0.260 4.480 4.740 0.000 0.000 0.250 825 N C -0.924 174.577 175.510 -0.014 0.000 1.133 825 N CA 0.953 53.986 53.050 -0.029 0.000 0.732 825 N CB -0.826 37.649 38.487 -0.020 0.000 1.107 825 N HN 0.603 nan 8.380 nan 0.000 0.559 826 Q N 0.349 120.145 119.800 -0.006 0.000 2.508 826 Q HA 0.424 4.764 4.340 0.000 0.000 0.247 826 Q C -0.666 175.334 176.000 0.001 0.000 1.047 826 Q CA -0.438 55.367 55.803 0.003 0.000 0.783 826 Q CB 1.471 30.212 28.738 0.006 0.000 1.172 826 Q HN 0.191 nan 8.270 nan 0.000 0.515 827 L N 3.626 124.848 121.223 -0.003 0.000 2.280 827 L HA 0.406 4.746 4.340 0.000 0.000 0.287 827 L C -1.231 175.642 176.870 0.006 0.000 1.023 827 L CA -0.762 54.074 54.840 -0.008 0.000 0.819 827 L CB 0.965 43.008 42.059 -0.028 0.000 1.212 827 L HN 0.422 nan 8.230 nan 0.000 0.420 828 L N 6.097 127.327 121.223 0.012 0.000 2.325 828 L HA 0.552 4.892 4.340 0.000 0.000 0.279 828 L C -1.200 175.689 176.870 0.032 0.000 1.054 828 L CA -0.074 54.784 54.840 0.030 0.000 0.804 828 L CB 1.280 43.365 42.059 0.043 0.000 1.200 828 L HN 0.558 nan 8.230 nan 0.000 0.436 829 L N 4.653 125.904 121.223 0.048 0.000 2.384 829 L HA 0.305 4.645 4.340 0.000 0.000 0.261 829 L C -0.753 176.179 176.870 0.102 0.000 1.024 829 L CA -0.684 54.193 54.840 0.061 0.000 0.899 829 L CB 1.163 43.248 42.059 0.043 0.000 1.243 829 L HN 0.597 nan 8.230 nan 0.000 0.449 830 D N 1.771 122.270 120.400 0.166 0.000 2.346 830 D HA -0.030 4.610 4.640 0.000 0.000 0.267 830 D C 0.110 176.514 176.300 0.173 0.000 1.320 830 D CA 0.473 54.582 54.000 0.182 0.000 0.951 830 D CB 0.697 41.656 40.800 0.265 0.000 1.079 830 D HN 0.340 nan 8.370 nan 0.000 0.509 831 D N 1.509 121.983 120.400 0.123 0.000 2.720 831 D HA 0.025 4.666 4.640 0.000 0.000 0.285 831 D C 0.873 177.235 176.300 0.103 0.000 1.359 831 D CA -0.030 54.040 54.000 0.118 0.000 0.818 831 D CB 0.059 40.917 40.800 0.096 0.000 1.108 831 D HN 0.241 nan 8.370 nan 0.000 0.474 832 S N -1.112 114.646 115.700 0.096 0.000 2.607 832 S HA -0.113 4.357 4.470 0.000 0.000 0.224 832 S C 1.879 176.512 174.600 0.056 0.000 0.969 832 S CA -0.210 58.028 58.200 0.062 0.000 0.927 832 S CB -0.501 62.724 63.200 0.042 0.000 0.772 832 S HN 0.354 nan 8.310 nan 0.000 0.533 833 Y N 2.577 122.880 120.300 0.005 0.000 2.128 833 Y HA 0.002 4.553 4.550 0.000 0.000 0.284 833 Y C 0.965 176.865 175.900 -0.000 0.000 1.154 833 Y CA 1.740 59.837 58.100 -0.004 0.000 1.149 833 Y CB 0.014 38.470 38.460 -0.006 0.000 0.976 833 Y HN 0.374 nan 8.280 nan 0.000 0.505 834 N N -1.597 117.105 118.700 0.003 0.000 3.227 834 N HA 0.527 5.267 4.740 0.000 0.000 0.241 834 N C -2.137 173.380 175.510 0.012 0.000 1.480 834 N CA 0.104 53.116 53.050 -0.062 0.000 0.886 834 N CB 1.499 39.960 38.487 -0.044 0.000 1.406 834 N HN 0.105 nan 8.380 nan 0.000 0.514 835 A N 0.870 123.684 122.820 -0.009 0.000 2.555 835 A HA 0.584 4.904 4.320 0.000 0.000 0.297 835 A C -1.516 176.050 177.584 -0.030 0.000 1.060 835 A CA -0.698 51.333 52.037 -0.010 0.000 0.710 835 A CB 0.726 19.720 19.000 -0.010 0.000 1.282 835 A HN 0.834 nan 8.150 nan 0.000 0.399 836 N N -0.079 118.599 118.700 -0.037 0.000 2.647 836 N HA 0.569 5.309 4.740 0.000 0.000 0.266 836 N C 0.606 176.074 175.510 -0.069 0.000 1.373 836 N CA -0.396 52.621 53.050 -0.054 0.000 0.807 836 N CB 1.044 39.513 38.487 -0.031 0.000 1.513 836 N HN 0.323 nan 8.380 nan 0.000 0.505 837 V N 0.189 120.051 119.914 -0.086 0.000 2.236 837 V HA -0.291 3.829 4.120 0.000 0.000 0.255 837 V C 2.447 178.507 176.094 -0.057 0.000 1.068 837 V CA 2.597 64.846 62.300 -0.085 0.000 1.044 837 V CB -1.617 30.162 31.823 -0.073 0.000 0.653 837 V HN 0.918 nan 8.190 nan 0.000 0.448 838 G N 0.555 109.329 108.800 -0.042 0.000 2.514 838 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 838 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 838 G C 1.098 175.978 174.900 -0.034 0.000 1.198 838 G CA 1.376 46.456 45.100 -0.034 0.000 0.780 838 G HN 0.748 nan 8.290 nan 0.000 0.565 842 A N 1.389 124.200 122.820 -0.015 0.000 1.968 842 A HA 0.561 4.881 4.320 0.000 0.000 0.217 842 A C 2.400 179.989 177.584 0.009 0.000 1.169 842 A CA 1.832 53.865 52.037 -0.007 0.000 0.638 842 A CB -0.800 18.186 19.000 -0.024 0.000 0.812 842 A HN 0.626 nan 8.150 nan 0.000 0.446 843 A N -0.350 122.475 122.820 0.008 0.000 1.930 843 A HA 0.030 4.350 4.320 0.000 0.000 0.217 843 A C 2.140 179.735 177.584 0.018 0.000 1.175 843 A CA 1.629 53.679 52.037 0.022 0.000 0.627 843 A CB -0.789 18.225 19.000 0.023 0.000 0.815 843 A HN 0.360 nan 8.150 nan 0.000 0.443 844 V N -0.104 119.815 119.914 0.008 0.000 2.407 844 V HA -0.257 3.863 4.120 0.000 0.000 0.248 844 V C 2.759 178.855 176.094 0.004 0.000 1.055 844 V CA 2.087 64.390 62.300 0.004 0.000 1.049 844 V CB -0.699 31.123 31.823 -0.002 0.000 0.662 844 V HN 0.560 nan 8.190 nan 0.000 0.455 845 Q N 0.162 119.966 119.800 0.006 0.000 2.050 845 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 845 Q C 2.308 178.315 176.000 0.013 0.000 0.980 845 Q CA 2.005 57.813 55.803 0.008 0.000 0.840 845 Q CB -0.569 28.176 28.738 0.012 0.000 0.898 845 Q HN 0.540 nan 8.270 nan 0.000 0.424 846 V N 1.251 121.179 119.914 0.024 0.000 2.295 846 V HA -0.262 3.858 4.120 0.000 0.000 0.246 846 V C 2.560 178.661 176.094 0.011 0.000 1.049 846 V CA 1.569 63.884 62.300 0.025 0.000 1.024 846 V CB -0.739 31.111 31.823 0.046 0.000 0.648 846 V HN 0.336 nan 8.190 nan 0.000 0.447 847 L N -0.021 121.208 121.223 0.010 0.000 2.012 847 L HA -0.226 4.114 4.340 0.000 0.000 0.210 847 L C 2.713 179.577 176.870 -0.010 0.000 1.073 847 L CA 1.996 56.837 54.840 0.001 0.000 0.748 847 L CB -0.711 41.349 42.059 0.003 0.000 0.891 847 L HN 0.401 nan 8.230 nan 0.000 0.431 848 A N -0.243 122.571 122.820 -0.011 0.000 1.884 848 A HA -0.231 4.089 4.320 0.000 0.000 0.219 848 A C 1.247 178.823 177.584 -0.014 0.000 1.197 848 A CA 1.421 53.448 52.037 -0.017 0.000 0.637 848 A CB -0.641 18.352 19.000 -0.012 0.000 0.827 848 A HN 0.569 nan 8.150 nan 0.000 0.450 852 G N 1.077 109.886 108.800 0.014 0.000 2.562 852 G HA2 -0.251 3.709 3.960 0.000 0.000 0.250 852 G HA3 -0.251 3.709 3.960 0.000 0.000 0.250 852 G C -0.706 174.230 174.900 0.060 0.000 1.269 852 G CA 0.071 45.200 45.100 0.048 0.000 0.919 852 G HN 0.844 nan 8.290 nan 0.000 0.574 853 Y N 3.178 123.479 120.300 0.001 0.000 2.480 853 Y HA 0.533 5.083 4.550 0.000 0.000 0.341 853 Y C 1.284 177.188 175.900 0.007 0.000 1.031 853 Y CA -0.010 58.094 58.100 0.007 0.000 1.295 853 Y CB 0.358 38.823 38.460 0.009 0.000 1.162 853 Y HN 0.455 nan 8.280 nan 0.000 0.523 854 R N 5.291 125.648 120.500 -0.237 0.000 2.255 854 R HA 0.528 4.868 4.340 0.000 0.000 0.326 854 R C -1.441 174.801 176.300 -0.097 0.000 0.986 854 R CA -0.904 55.133 56.100 -0.106 0.000 0.847 854 R CB 1.365 31.603 30.300 -0.103 0.000 1.111 854 R HN 0.400 nan 8.270 nan 0.000 0.452 855 V N 4.663 124.605 119.914 0.046 0.000 2.409 855 V HA 0.231 4.351 4.120 0.000 0.000 0.291 855 V C -0.554 175.575 176.094 0.059 0.000 1.020 855 V CA -0.945 61.408 62.300 0.088 0.000 0.848 855 V CB 1.554 33.477 31.823 0.167 0.000 0.990 855 V HN 0.524 nan 8.190 nan 0.000 0.430 856 L N 7.164 128.417 121.223 0.051 0.000 2.270 856 L HA 0.521 4.861 4.340 0.000 0.000 0.286 856 L C -0.239 176.669 176.870 0.064 0.000 1.059 856 L CA 0.285 55.154 54.840 0.048 0.000 0.839 856 L CB 1.021 43.102 42.059 0.037 0.000 1.221 856 L HN 0.474 nan 8.230 nan 0.000 0.431 857 V N 6.247 126.194 119.914 0.056 0.000 2.406 857 V HA 0.549 4.670 4.120 0.000 0.000 0.272 857 V C 0.139 176.266 176.094 0.056 0.000 1.043 857 V CA -0.141 62.190 62.300 0.052 0.000 0.915 857 V CB 1.238 33.075 31.823 0.022 0.000 0.988 857 V HN 0.641 nan 8.190 nan 0.000 0.466 858 V N 2.678 122.639 119.914 0.077 0.000 3.040 858 V HA 1.102 5.222 4.120 0.000 0.000 0.312 858 V C 0.042 176.197 176.094 0.101 0.000 1.115 858 V CA -0.136 62.213 62.300 0.081 0.000 0.998 858 V CB 1.936 33.811 31.823 0.086 0.000 1.042 858 V HN 0.886 nan 8.190 nan 0.000 0.433 859 G N 0.621 109.475 108.800 0.091 0.000 3.013 859 G HA2 0.613 4.573 3.960 0.000 0.000 0.278 859 G HA3 0.613 4.573 3.960 0.000 0.000 0.278 859 G C -1.141 173.835 174.900 0.127 0.000 1.353 859 G CA -0.693 44.468 45.100 0.101 0.000 1.043 859 G HN 0.786 nan 8.290 nan 0.000 0.523 863 E N -0.501 119.717 120.200 0.031 0.000 2.478 863 E HA 0.364 4.714 4.350 0.000 0.000 0.262 863 E C -0.550 176.071 176.600 0.035 0.000 1.243 863 E CA 0.479 56.897 56.400 0.029 0.000 1.039 863 E CB 0.350 30.087 29.700 0.062 0.000 0.983 863 E HN 0.428 nan 8.360 nan 0.000 0.479 864 L N -1.027 120.213 121.223 0.028 0.000 2.465 864 L HA 0.509 4.849 4.340 0.000 0.000 0.257 864 L C 0.186 177.070 176.870 0.024 0.000 0.988 864 L CA 0.471 55.325 54.840 0.024 0.000 0.827 864 L CB 1.938 44.006 42.059 0.015 0.000 1.397 864 L HN 0.708 nan 8.230 nan 0.000 0.410 865 G N 1.124 109.938 108.800 0.022 0.000 2.877 865 G HA2 0.038 3.999 3.960 0.000 0.000 0.279 865 G HA3 0.038 3.999 3.960 0.000 0.000 0.279 865 G C 0.787 175.700 174.900 0.023 0.000 1.431 865 G CA 0.150 45.261 45.100 0.019 0.000 0.883 865 G HN 1.372 nan 8.290 nan 0.000 0.547 866 A N -0.850 121.981 122.820 0.018 0.000 2.131 866 A HA 0.032 4.352 4.320 0.000 0.000 0.220 866 A C 2.107 179.703 177.584 0.021 0.000 1.158 866 A CA 2.543 54.590 52.037 0.018 0.000 0.665 866 A CB -0.355 18.652 19.000 0.013 0.000 0.795 866 A HN 1.288 nan 8.150 nan 0.000 0.460 867 E N -0.020 120.192 120.200 0.021 0.000 2.274 867 E HA -0.101 4.249 4.350 0.000 0.000 0.194 867 E C 1.975 178.598 176.600 0.038 0.000 0.996 867 E CA 1.095 57.507 56.400 0.020 0.000 0.840 867 E CB -0.373 29.333 29.700 0.010 0.000 0.772 867 E HN 0.473 nan 8.360 nan 0.000 0.491 868 S N 0.189 115.925 115.700 0.060 0.000 2.378 868 S HA -0.361 4.109 4.470 0.000 0.000 0.229 868 S C 1.921 176.654 174.600 0.221 0.000 1.052 868 S CA 1.954 60.237 58.200 0.137 0.000 1.084 868 S CB -0.524 62.754 63.200 0.131 0.000 0.950 868 S HN 0.504 nan 8.310 nan 0.000 0.440 869 E N 1.100 121.355 120.200 0.092 0.000 2.035 869 E HA -0.153 4.197 4.350 0.000 0.000 0.204 869 E C 2.115 178.749 176.600 0.057 0.000 1.025 869 E CA 1.936 58.358 56.400 0.037 0.000 0.835 869 E CB -0.974 28.730 29.700 0.008 0.000 0.764 869 E HN 0.531 nan 8.360 nan 0.000 0.457 870 A N 0.096 122.939 122.820 0.038 0.000 1.883 870 A HA -0.244 4.076 4.320 0.000 0.000 0.217 870 A C 2.652 180.246 177.584 0.016 0.000 1.186 870 A CA 1.759 53.808 52.037 0.021 0.000 0.624 870 A CB -1.192 17.815 19.000 0.011 0.000 0.822 870 A HN 0.590 nan 8.150 nan 0.000 0.444 871 C N -1.525 117.781 119.300 0.010 0.000 2.413 871 C HA -0.124 4.336 4.460 0.000 0.000 0.276 871 C C 2.574 177.507 174.990 -0.095 0.000 1.248 871 C CA 1.278 60.262 59.018 -0.057 0.000 1.742 871 C CB -1.789 25.888 27.740 -0.105 0.000 2.017 871 C HN 0.756 nan 8.230 nan 0.000 0.481 872 H N -0.315 118.720 119.070 -0.058 0.000 2.357 872 H HA -0.071 4.485 4.556 0.000 0.000 0.301 872 H C 2.193 177.477 175.328 -0.072 0.000 1.082 872 H CA 1.762 57.764 56.048 -0.077 0.000 1.342 872 H CB -0.289 29.396 29.762 -0.128 0.000 1.389 872 H HN 0.223 nan 8.280 nan 0.000 0.511 873 V N 0.814 120.758 119.914 0.050 0.000 2.287 873 V HA -0.310 3.810 4.120 0.000 0.000 0.248 873 V C 2.171 178.265 176.094 0.000 0.000 1.053 873 V CA 1.935 64.241 62.300 0.010 0.000 1.027 873 V CB -0.523 31.302 31.823 0.002 0.000 0.646 873 V HN 0.502 nan 8.190 nan 0.000 0.447 874 Q N -0.478 119.317 119.800 -0.008 0.000 2.045 874 Q HA -0.214 4.126 4.340 0.000 0.000 0.206 874 Q C 2.350 178.338 176.000 -0.019 0.000 0.991 874 Q CA 2.211 58.004 55.803 -0.016 0.000 0.851 874 Q CB -0.497 28.227 28.738 -0.025 0.000 0.911 874 Q HN 0.550 nan 8.270 nan 0.000 0.418 875 V N 0.627 120.523 119.914 -0.030 0.000 2.332 875 V HA -0.249 3.871 4.120 0.000 0.000 0.248 875 V C 2.229 178.318 176.094 -0.009 0.000 1.055 875 V CA 1.991 64.273 62.300 -0.028 0.000 1.038 875 V CB -1.288 30.505 31.823 -0.050 0.000 0.651 875 V HN 0.568 nan 8.190 nan 0.000 0.450 876 G N -0.488 108.312 108.800 -0.000 0.000 2.421 876 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 876 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 876 G C 1.443 176.344 174.900 0.003 0.000 1.171 876 G CA 0.854 45.958 45.100 0.007 0.000 0.775 876 G HN 0.572 nan 8.290 nan 0.000 0.543 877 E N 0.603 120.802 120.200 -0.001 0.000 2.118 877 E HA -0.092 4.258 4.350 0.000 0.000 0.195 877 E C 2.885 179.482 176.600 -0.005 0.000 0.992 877 E CA 0.788 57.186 56.400 -0.003 0.000 0.804 877 E CB -0.189 29.509 29.700 -0.004 0.000 0.741 877 E HN 0.428 nan 8.360 nan 0.000 0.458 878 A N 1.409 124.224 122.820 -0.007 0.000 1.930 878 A HA -0.053 4.267 4.320 0.000 0.000 0.217 878 A C 2.376 179.956 177.584 -0.007 0.000 1.175 878 A CA 1.493 53.525 52.037 -0.008 0.000 0.627 878 A CB -0.474 18.519 19.000 -0.011 0.000 0.815 878 A HN 0.286 nan 8.150 nan 0.000 0.443 879 A N -0.098 122.719 122.820 -0.005 0.000 1.969 879 A HA -0.090 4.230 4.320 0.000 0.000 0.218 879 A C 2.035 179.614 177.584 -0.008 0.000 1.169 879 A CA 2.224 54.258 52.037 -0.005 0.000 0.635 879 A CB -0.341 18.662 19.000 0.003 0.000 0.810 879 A HN 0.473 nan 8.150 nan 0.000 0.445 880 K N 0.516 120.913 120.400 -0.005 0.000 1.984 880 K HA 0.048 4.368 4.320 0.000 0.000 0.209 880 K C 2.007 178.602 176.600 -0.009 0.000 1.046 880 K CA 1.901 58.184 56.287 -0.006 0.000 0.934 880 K CB -0.790 31.709 32.500 -0.002 0.000 0.717 880 K HN 0.251 nan 8.250 nan 0.000 0.438 881 A N 0.493 123.308 122.820 -0.008 0.000 1.972 881 A HA -0.016 4.305 4.320 0.000 0.000 0.219 881 A C 2.286 179.864 177.584 -0.011 0.000 1.169 881 A CA 1.991 54.023 52.037 -0.009 0.000 0.635 881 A CB -0.986 18.010 19.000 -0.007 0.000 0.810 881 A HN 0.477 nan 8.150 nan 0.000 0.446 882 A N -1.427 121.385 122.820 -0.013 0.000 2.168 882 A HA 0.372 4.692 4.320 0.000 0.000 0.215 882 A C 1.808 179.378 177.584 -0.023 0.000 1.152 882 A CA 1.239 53.267 52.037 -0.015 0.000 0.716 882 A CB -1.097 17.895 19.000 -0.014 0.000 0.794 882 A HN 1.948 nan 8.150 nan 0.000 0.465 883 G N -0.231 108.554 108.800 -0.025 0.000 2.295 883 G HA2 -0.199 3.761 3.960 0.000 0.000 0.287 883 G HA3 -0.199 3.761 3.960 0.000 0.000 0.287 883 G C -0.003 174.861 174.900 -0.059 0.000 1.055 883 G CA 0.171 45.250 45.100 -0.036 0.000 0.922 883 G HN 0.293 nan 8.290 nan 0.000 0.503 884 I N 0.246 120.781 120.570 -0.059 0.000 2.938 884 I HA 0.098 4.268 4.170 0.000 0.000 0.285 884 I C 1.267 177.297 176.117 -0.145 0.000 1.182 884 I CA -0.331 60.916 61.300 -0.089 0.000 1.388 884 I CB 0.426 38.394 38.000 -0.054 0.000 1.390 884 I HN 0.184 nan 8.210 nan 0.000 0.600 885 D N 2.583 122.816 120.400 -0.278 0.000 2.333 885 D HA 0.033 4.673 4.640 0.000 0.000 0.208 885 D C 0.791 176.916 176.300 -0.292 0.000 0.984 885 D CA 0.664 54.388 54.000 -0.461 0.000 0.873 885 D CB 0.707 40.848 40.800 -1.098 0.000 0.935 885 D HN 0.408 nan 8.370 nan 0.000 0.521 886 R N -0.399 120.025 120.500 -0.127 0.000 2.687 886 R HA 0.310 4.651 4.340 0.000 0.000 0.265 886 R C -2.274 174.071 176.300 0.076 0.000 1.048 886 R CA -0.404 55.737 56.100 0.067 0.000 0.884 886 R CB 1.622 32.080 30.300 0.264 0.000 1.258 886 R HN -0.253 nan 8.270 nan 0.000 0.469 887 V N 5.097 125.076 119.914 0.109 0.000 2.516 887 V HA 0.326 4.446 4.120 0.000 0.000 0.271 887 V C -0.463 175.734 176.094 0.172 0.000 0.992 887 V CA -0.648 61.719 62.300 0.112 0.000 0.857 887 V CB 1.185 33.057 31.823 0.082 0.000 1.047 887 V HN 0.565 nan 8.190 nan 0.000 0.455 888 L N 3.835 125.174 121.223 0.194 0.000 2.331 888 L HA 0.679 5.019 4.340 0.000 0.000 0.278 888 L C 0.599 177.626 176.870 0.262 0.000 1.106 888 L CA 0.342 55.356 54.840 0.290 0.000 0.824 888 L CB 1.487 43.641 42.059 0.158 0.000 1.142 888 L HN 0.774 nan 8.230 nan 0.000 0.443 889 S N 2.429 118.377 115.700 0.415 0.000 2.627 889 S HA 0.879 5.349 4.470 0.000 0.000 0.283 889 S C -0.912 173.955 174.600 0.444 0.000 1.127 889 S CA -0.735 57.698 58.200 0.388 0.000 0.863 889 S CB 2.449 65.876 63.200 0.379 0.000 1.121 889 S HN 0.245 nan 8.310 nan 0.000 0.479 890 V N 0.511 120.617 119.914 0.320 0.000 2.711 890 V HA 0.926 5.046 4.120 0.000 0.000 0.304 890 V C 0.444 176.706 176.094 0.281 0.000 1.097 890 V CA 0.325 62.736 62.300 0.185 0.000 0.906 890 V CB 0.871 32.729 31.823 0.059 0.000 1.015 890 V HN 1.797 nan 8.190 nan 0.000 0.427 891 G N 3.587 112.588 108.800 0.335 0.000 2.361 891 G HA2 0.094 4.055 3.960 0.000 0.000 0.331 891 G HA3 0.094 4.055 3.960 0.000 0.000 0.331 891 G C -0.500 174.597 174.900 0.327 0.000 1.324 891 G CA -0.511 44.742 45.100 0.256 0.000 0.984 891 G HN 0.572 nan 8.290 nan 0.000 0.586 892 K N -0.322 120.187 120.400 0.181 0.000 2.417 892 K HA 0.168 4.488 4.320 0.000 0.000 0.196 892 K C 1.356 178.061 176.600 0.175 0.000 1.023 892 K CA 0.381 56.776 56.287 0.179 0.000 1.122 892 K CB 0.453 33.008 32.500 0.092 0.000 0.850 892 K HN 0.388 nan 8.250 nan 0.000 0.521 893 Q N -0.907 118.878 119.800 -0.024 0.000 2.527 893 Q HA 0.038 4.378 4.340 0.000 0.000 0.252 893 Q C 1.737 177.299 176.000 -0.730 0.000 0.827 893 Q CA 0.562 56.084 55.803 -0.469 0.000 0.979 893 Q CB 0.665 29.021 28.738 -0.636 0.000 1.248 893 Q HN 0.203 nan 8.270 nan 0.000 0.578 894 S N 1.291 116.799 115.700 -0.320 0.000 2.528 894 S HA -0.175 4.295 4.470 0.000 0.000 0.244 894 S C 1.552 176.010 174.600 -0.237 0.000 0.982 894 S CA 1.427 59.560 58.200 -0.111 0.000 0.953 894 S CB -0.731 62.543 63.200 0.122 0.000 0.754 894 S HN 0.568 nan 8.310 nan 0.000 0.529 895 H N 1.081 119.847 119.070 -0.505 0.000 2.421 895 H HA 0.314 4.870 4.556 0.000 0.000 0.298 895 H C 2.007 177.178 175.328 -0.262 0.000 1.087 895 H CA 0.945 56.571 56.048 -0.703 0.000 1.330 895 H CB -0.707 28.546 29.762 -0.848 0.000 1.388 895 H HN 0.427 nan 8.280 nan 0.000 0.526 896 A N 1.304 123.765 122.820 -0.598 0.000 2.067 896 A HA 0.010 4.330 4.320 0.000 0.000 0.219 896 A C 2.308 179.833 177.584 -0.097 0.000 1.158 896 A CA 1.273 53.137 52.037 -0.288 0.000 0.661 896 A CB -0.648 18.152 19.000 -0.333 0.000 0.801 896 A HN 0.505 nan 8.150 nan 0.000 0.452 897 I N 0.314 120.848 120.570 -0.060 0.000 2.235 897 I HA -0.193 3.977 4.170 0.000 0.000 0.241 897 I C 2.866 178.998 176.117 0.024 0.000 1.085 897 I CA 1.433 62.742 61.300 0.014 0.000 1.378 897 I CB -0.491 37.545 38.000 0.059 0.000 1.076 897 I HN 0.449 nan 8.210 nan 0.000 0.415 898 S N 0.154 115.878 115.700 0.039 0.000 2.382 898 S HA -0.167 4.303 4.470 0.000 0.000 0.228 898 S C 1.971 176.600 174.600 0.048 0.000 1.027 898 S CA 1.785 60.028 58.200 0.073 0.000 0.991 898 S CB -0.998 62.280 63.200 0.130 0.000 0.823 898 S HN 0.361 nan 8.310 nan 0.000 0.469 899 T N 3.022 117.592 114.554 0.027 0.000 2.588 899 T HA 0.079 4.430 4.350 0.000 0.000 0.261 899 T C 2.270 176.981 174.700 0.018 0.000 1.069 899 T CA 1.544 63.660 62.100 0.025 0.000 1.172 899 T CB -1.026 67.860 68.868 0.029 0.000 0.863 899 T HN 0.608 nan 8.240 nan 0.000 0.408 900 A N 1.744 124.569 122.820 0.008 0.000 2.032 900 A HA -0.141 4.179 4.320 0.000 0.000 0.221 900 A C 2.479 180.069 177.584 0.010 0.000 1.165 900 A CA 2.226 54.267 52.037 0.006 0.000 0.645 900 A CB -0.907 18.093 19.000 0.001 0.000 0.807 900 A HN 0.618 nan 8.150 nan 0.000 0.453 901 S N -1.508 114.202 115.700 0.015 0.000 2.481 901 S HA 0.272 4.742 4.470 0.000 0.000 0.231 901 S C 1.605 176.214 174.600 0.015 0.000 0.996 901 S CA 1.257 59.466 58.200 0.015 0.000 0.942 901 S CB -0.684 62.529 63.200 0.023 0.000 0.768 901 S HN 2.000 nan 8.310 nan 0.000 0.520 902 G N -0.073 108.738 108.800 0.018 0.000 2.155 902 G HA2 -0.223 3.737 3.960 0.000 0.000 0.257 902 G HA3 -0.223 3.737 3.960 0.000 0.000 0.257 902 G C 0.101 175.015 174.900 0.024 0.000 0.983 902 G CA 0.494 45.605 45.100 0.018 0.000 0.676 902 G HN 1.230 nan 8.290 nan 0.000 0.528 903 V N -1.498 118.435 119.914 0.032 0.000 3.080 903 V HA 0.921 5.041 4.120 0.000 0.000 0.311 903 V C 1.090 177.224 176.094 0.066 0.000 1.389 903 V CA 1.003 63.330 62.300 0.044 0.000 1.049 903 V CB 1.424 33.266 31.823 0.031 0.000 1.078 903 V HN 2.340 nan 8.190 nan 0.000 0.468 904 G N 1.742 110.598 108.800 0.093 0.000 2.953 904 G HA2 -0.053 3.907 3.960 0.000 0.000 0.421 904 G HA3 -0.053 3.907 3.960 0.000 0.000 0.421 904 G C -0.600 174.369 174.900 0.115 0.000 1.531 904 G CA 0.427 45.605 45.100 0.129 0.000 0.971 904 G HN 1.506 nan 8.290 nan 0.000 0.558 905 E N -0.489 119.804 120.200 0.155 0.000 2.367 905 E HA 0.599 4.949 4.350 0.000 0.000 0.273 905 E C -0.857 175.799 176.600 0.094 0.000 0.903 905 E CA -1.055 55.372 56.400 0.044 0.000 0.764 905 E CB 2.111 31.750 29.700 -0.101 0.000 1.252 905 E HN 0.710 nan 8.360 nan 0.000 0.446 906 H N 0.716 119.688 119.070 -0.163 0.000 2.483 906 H HA 0.589 5.145 4.556 0.000 0.000 0.338 906 H C -1.527 173.587 175.328 -0.358 0.000 1.152 906 H CA -0.442 55.581 56.048 -0.043 0.000 1.264 906 H CB 0.762 30.543 29.762 0.032 0.000 1.510 906 H HN 0.385 nan 8.280 nan 0.000 0.530 907 F N 0.730 120.306 119.950 -0.624 0.000 2.588 907 F HA 0.491 5.018 4.527 0.000 0.000 0.314 907 F C 0.926 176.406 175.800 -0.534 0.000 1.069 907 F CA -0.423 57.333 58.000 -0.407 0.000 0.931 907 F CB 1.728 40.611 39.000 -0.195 0.000 1.260 907 F HN 0.666 nan 8.300 nan 0.000 0.465 908 A N 0.118 122.888 122.820 -0.084 0.000 2.081 908 A HA 0.205 4.525 4.320 0.000 0.000 0.214 908 A C -0.147 177.432 177.584 -0.009 0.000 1.158 908 A CA 1.238 53.239 52.037 -0.061 0.000 0.724 908 A CB -0.734 18.250 19.000 -0.026 0.000 0.826 908 A HN 0.798 nan 8.150 nan 0.000 0.463 909 D N -3.513 116.902 120.400 0.025 0.000 2.579 909 D HA 0.378 5.018 4.640 0.000 0.000 0.257 909 D C 0.163 176.461 176.300 -0.004 0.000 1.176 909 D CA -0.743 53.265 54.000 0.014 0.000 0.914 909 D CB 0.708 41.515 40.800 0.012 0.000 1.431 909 D HN -0.126 nan 8.370 nan 0.000 0.454 910 K N -0.725 119.659 120.400 -0.026 0.000 2.155 910 K HA -0.029 4.291 4.320 0.000 0.000 0.203 910 K C 1.514 178.063 176.600 -0.085 0.000 1.052 910 K CA 1.490 57.738 56.287 -0.065 0.000 0.948 910 K CB -0.278 32.196 32.500 -0.043 0.000 0.728 910 K HN 0.540 nan 8.250 nan 0.000 0.448 911 T N 1.068 115.595 114.554 -0.045 0.000 2.788 911 T HA -0.120 4.230 4.350 0.000 0.000 0.268 911 T C 2.112 176.786 174.700 -0.043 0.000 1.044 911 T CA 1.246 63.323 62.100 -0.039 0.000 1.139 911 T CB -0.215 68.644 68.868 -0.014 0.000 0.867 911 T HN 0.258 nan 8.240 nan 0.000 0.454 912 A N 1.308 124.120 122.820 -0.013 0.000 1.929 912 A HA 0.170 4.490 4.320 0.000 0.000 0.216 912 A C 2.278 179.783 177.584 -0.131 0.000 1.176 912 A CA 0.755 52.829 52.037 0.063 0.000 0.628 912 A CB -0.748 18.392 19.000 0.235 0.000 0.816 912 A HN 0.469 nan 8.150 nan 0.000 0.444 913 L N -0.346 120.604 121.223 -0.455 0.000 2.027 913 L HA -0.133 4.207 4.340 0.000 0.000 0.206 913 L C 2.299 178.883 176.870 -0.477 0.000 1.074 913 L CA 1.799 56.044 54.840 -0.991 0.000 0.745 913 L CB -0.342 41.276 42.059 -0.735 0.000 0.898 913 L HN 0.417 nan 8.230 nan 0.000 0.433 914 I N -0.458 119.961 120.570 -0.250 0.000 2.454 914 I HA -0.268 3.902 4.170 0.000 0.000 0.254 914 I C 2.349 178.405 176.117 -0.101 0.000 1.156 914 I CA 1.255 62.469 61.300 -0.143 0.000 1.433 914 I CB -0.421 37.527 38.000 -0.087 0.000 1.082 914 I HN 0.267 nan 8.210 nan 0.000 0.432 915 T N 0.203 114.705 114.554 -0.086 0.000 2.701 915 T HA -0.145 4.205 4.350 0.000 0.000 0.263 915 T C 2.157 176.843 174.700 -0.023 0.000 1.040 915 T CA 1.009 63.089 62.100 -0.033 0.000 1.147 915 T CB -0.178 68.692 68.868 0.003 0.000 0.865 915 T HN 0.186 nan 8.240 nan 0.000 0.426 916 R N 0.872 121.361 120.500 -0.019 0.000 2.083 916 R HA 0.028 4.368 4.340 0.000 0.000 0.237 916 R C 2.489 178.781 176.300 -0.013 0.000 1.137 916 R CA 1.224 57.347 56.100 0.038 0.000 0.951 916 R CB -1.090 29.320 30.300 0.184 0.000 0.851 916 R HN 0.396 nan 8.270 nan 0.000 0.434 917 L N 1.000 122.171 121.223 -0.086 0.000 2.079 917 L HA -0.227 4.113 4.340 0.000 0.000 0.210 917 L C 2.371 179.219 176.870 -0.037 0.000 1.081 917 L CA 1.666 56.468 54.840 -0.063 0.000 0.752 917 L CB -0.170 41.831 42.059 -0.097 0.000 0.896 917 L HN 0.191 nan 8.230 nan 0.000 0.433 918 K N -0.552 119.825 120.400 -0.038 0.000 2.148 918 K HA -0.156 4.164 4.320 0.000 0.000 0.204 918 K C 2.012 178.598 176.600 -0.023 0.000 1.050 918 K CA 1.054 57.326 56.287 -0.026 0.000 0.942 918 K CB -0.056 32.430 32.500 -0.022 0.000 0.724 918 K HN 0.327 nan 8.250 nan 0.000 0.446 919 L N 0.734 121.946 121.223 -0.019 0.000 1.994 919 L HA -0.205 4.135 4.340 0.000 0.000 0.208 919 L C 2.369 179.213 176.870 -0.043 0.000 1.071 919 L CA 1.147 55.975 54.840 -0.020 0.000 0.745 919 L CB -0.509 41.547 42.059 -0.004 0.000 0.892 919 L HN 0.200 nan 8.230 nan 0.000 0.431 920 L N -0.235 120.960 121.223 -0.047 0.000 2.089 920 L HA -0.297 4.043 4.340 0.000 0.000 0.213 920 L C 2.501 179.313 176.870 -0.098 0.000 1.079 920 L CA 1.500 56.283 54.840 -0.096 0.000 0.758 920 L CB -0.305 41.721 42.059 -0.055 0.000 0.891 920 L HN 0.265 nan 8.230 nan 0.000 0.433 921 I N -0.954 119.586 120.570 -0.050 0.000 2.315 921 I HA -0.262 3.908 4.170 0.000 0.000 0.248 921 I C 2.646 178.739 176.117 -0.040 0.000 1.117 921 I CA 1.097 62.377 61.300 -0.035 0.000 1.404 921 I CB -0.314 37.676 38.000 -0.016 0.000 1.071 921 I HN 0.218 nan 8.210 nan 0.000 0.419 922 A N 0.177 122.973 122.820 -0.040 0.000 1.898 922 A HA -0.215 4.105 4.320 0.000 0.000 0.214 922 A C 2.306 179.861 177.584 -0.048 0.000 1.183 922 A CA 1.522 53.539 52.037 -0.034 0.000 0.622 922 A CB -0.547 18.438 19.000 -0.026 0.000 0.824 922 A HN 0.475 nan 8.150 nan 0.000 0.444 923 E N -0.291 119.868 120.200 -0.069 0.000 2.051 923 E HA -0.175 4.176 4.350 0.000 0.000 0.192 923 E C 0.084 176.617 176.600 -0.110 0.000 0.991 923 E CA 0.826 57.172 56.400 -0.090 0.000 0.799 923 E CB -0.070 29.560 29.700 -0.117 0.000 0.748 923 E HN 0.478 nan 8.360 nan 0.000 0.449 924 Q N 0.986 120.699 119.800 -0.145 0.000 2.360 924 Q HA 0.030 4.370 4.340 0.000 0.000 0.254 924 Q C 0.456 176.427 176.000 -0.049 0.000 0.975 924 Q CA -0.057 55.669 55.803 -0.128 0.000 0.912 924 Q CB 1.549 30.151 28.738 -0.227 0.000 1.212 924 Q HN 0.477 nan 8.270 nan 0.000 0.452 925 Q N 0.372 120.157 119.800 -0.025 0.000 2.436 925 Q HA 0.043 4.383 4.340 0.000 0.000 0.209 925 Q C -0.053 175.950 176.000 0.006 0.000 0.965 925 Q CA 0.710 56.508 55.803 -0.008 0.000 0.910 925 Q CB 0.372 29.107 28.738 -0.004 0.000 0.980 925 Q HN 0.192 nan 8.270 nan 0.000 0.491 926 V N 2.354 122.281 119.914 0.021 0.000 2.443 926 V HA 0.340 4.461 4.120 0.000 0.000 0.272 926 V C -1.104 175.036 176.094 0.077 0.000 1.002 926 V CA -0.843 61.479 62.300 0.036 0.000 0.840 926 V CB 0.947 32.792 31.823 0.037 0.000 1.042 926 V HN 0.241 nan 8.190 nan 0.000 0.446 927 I N 1.949 122.558 120.570 0.065 0.000 2.785 927 I HA 0.824 4.994 4.170 0.000 0.000 0.302 927 I C 0.048 176.206 176.117 0.068 0.000 1.069 927 I CA -0.772 60.593 61.300 0.108 0.000 1.045 927 I CB 2.305 40.359 38.000 0.091 0.000 1.236 927 I HN 0.241 nan 8.210 nan 0.000 0.429 928 T N 4.920 119.520 114.554 0.078 0.000 3.008 928 T HA 0.616 4.966 4.350 0.000 0.000 0.328 928 T C -0.425 174.306 174.700 0.051 0.000 1.020 928 T CA -0.145 61.979 62.100 0.040 0.000 1.043 928 T CB 0.302 69.178 68.868 0.014 0.000 1.010 928 T HN 0.386 nan 8.240 nan 0.000 0.466 929 I N 3.693 124.292 120.570 0.048 0.000 2.331 929 I HA 0.508 4.678 4.170 0.000 0.000 0.292 929 I C -0.376 175.767 176.117 0.042 0.000 0.998 929 I CA -0.875 60.456 61.300 0.051 0.000 1.267 929 I CB 1.580 39.608 38.000 0.047 0.000 1.386 929 I HN 0.360 nan 8.210 nan 0.000 0.476 930 L N 7.702 128.951 121.223 0.043 0.000 2.342 930 L HA 0.547 4.887 4.340 0.000 0.000 0.276 930 L C -0.944 175.954 176.870 0.046 0.000 0.997 930 L CA -0.561 54.305 54.840 0.044 0.000 0.838 930 L CB 1.346 43.428 42.059 0.038 0.000 1.224 930 L HN 0.325 nan 8.230 nan 0.000 0.416 931 V N 5.228 125.172 119.914 0.050 0.000 2.407 931 V HA 0.529 4.649 4.120 0.000 0.000 0.278 931 V C -0.139 175.984 176.094 0.050 0.000 1.037 931 V CA -0.486 61.841 62.300 0.045 0.000 0.900 931 V CB 1.438 33.286 31.823 0.041 0.000 0.983 931 V HN 0.719 nan 8.190 nan 0.000 0.459 932 K N 2.648 123.075 120.400 0.043 0.000 2.546 932 K HA 0.745 5.065 4.320 0.000 0.000 0.264 932 K C -0.684 175.937 176.600 0.034 0.000 0.937 932 K CA -0.307 56.004 56.287 0.041 0.000 0.833 932 K CB 2.470 34.993 32.500 0.039 0.000 1.378 932 K HN 0.965 nan 8.250 nan 0.000 0.432 933 G N 0.961 109.775 108.800 0.023 0.000 2.519 933 G HA2 0.266 4.226 3.960 0.000 0.000 0.292 933 G HA3 0.266 4.226 3.960 0.000 0.000 0.292 933 G C -1.014 173.881 174.900 -0.008 0.000 1.507 933 G CA -0.568 44.544 45.100 0.020 0.000 0.806 933 G HN 0.661 nan 8.290 nan 0.000 0.523 934 S N 0.644 116.338 115.700 -0.011 0.000 2.598 934 S HA 0.235 4.705 4.470 0.000 0.000 0.256 934 S C 1.611 176.158 174.600 -0.087 0.000 1.350 934 S CA -0.176 57.997 58.200 -0.045 0.000 0.984 934 S CB 1.153 64.339 63.200 -0.022 0.000 0.930 934 S HN 0.623 nan 8.310 nan 0.000 0.577 935 R N 1.247 121.659 120.500 -0.146 0.000 2.083 935 R HA -0.103 4.237 4.340 0.000 0.000 0.237 935 R C 2.770 179.004 176.300 -0.110 0.000 1.137 935 R CA 2.068 58.049 56.100 -0.197 0.000 0.951 935 R CB -1.794 28.358 30.300 -0.246 0.000 0.851 935 R HN 0.945 nan 8.270 nan 0.000 0.434 936 S N -0.032 115.627 115.700 -0.069 0.000 2.447 936 S HA -0.028 4.442 4.470 0.000 0.000 0.233 936 S C 2.033 176.620 174.600 -0.021 0.000 1.006 936 S CA 0.914 59.092 58.200 -0.037 0.000 0.957 936 S CB -0.148 63.040 63.200 -0.020 0.000 0.773 936 S HN 0.350 nan 8.310 nan 0.000 0.507 937 A N 1.879 124.690 122.820 -0.016 0.000 2.066 937 A HA 0.523 4.843 4.320 0.000 0.000 0.218 937 A C 1.394 178.974 177.584 -0.007 0.000 1.157 937 A CA 0.795 52.833 52.037 0.003 0.000 0.670 937 A CB -1.330 17.681 19.000 0.018 0.000 0.804 937 A HN 1.563 nan 8.150 nan 0.000 0.453 941 E N 1.608 121.805 120.200 -0.005 0.000 2.106 941 E HA -0.044 4.306 4.350 0.000 0.000 0.192 941 E C 2.054 178.647 176.600 -0.010 0.000 0.984 941 E CA 1.693 58.088 56.400 -0.008 0.000 0.806 941 E CB 0.167 29.860 29.700 -0.012 0.000 0.750 941 E HN 0.067 nan 8.360 nan 0.000 0.458 942 V N 0.974 120.880 119.914 -0.013 0.000 2.295 942 V HA -0.240 3.880 4.120 0.000 0.000 0.246 942 V C 2.351 178.441 176.094 -0.006 0.000 1.049 942 V CA 1.351 63.638 62.300 -0.022 0.000 1.024 942 V CB -0.404 31.403 31.823 -0.026 0.000 0.648 942 V HN 0.130 nan 8.190 nan 0.000 0.447 943 V N 0.004 119.924 119.914 0.010 0.000 2.295 943 V HA -0.230 3.890 4.120 0.000 0.000 0.246 943 V C 2.720 178.829 176.094 0.025 0.000 1.049 943 V CA 1.902 64.219 62.300 0.028 0.000 1.024 943 V CB -0.817 31.034 31.823 0.045 0.000 0.648 943 V HN 0.451 nan 8.190 nan 0.000 0.447 944 R N 0.492 121.001 120.500 0.015 0.000 2.080 944 R HA -0.147 4.193 4.340 0.000 0.000 0.236 944 R C 2.469 178.775 176.300 0.009 0.000 1.137 944 R CA 1.738 57.846 56.100 0.013 0.000 0.943 944 R CB -1.331 28.972 30.300 0.004 0.000 0.846 944 R HN 0.530 nan 8.270 nan 0.000 0.431 945 A N 1.704 124.524 122.820 0.000 0.000 1.892 945 A HA -0.157 4.164 4.320 0.000 0.000 0.218 945 A C 2.421 180.004 177.584 -0.002 0.000 1.188 945 A CA 1.454 53.488 52.037 -0.005 0.000 0.631 945 A CB -0.796 18.194 19.000 -0.016 0.000 0.822 945 A HN 0.238 nan 8.150 nan 0.000 0.447 946 L N -0.498 120.725 121.223 0.000 0.000 2.261 946 L HA -0.179 4.161 4.340 0.000 0.000 0.216 946 L C 1.592 178.469 176.870 0.013 0.000 1.114 946 L CA 1.014 55.856 54.840 0.004 0.000 0.777 946 L CB -0.505 41.559 42.059 0.009 0.000 0.910 946 L HN 0.709 nan 8.230 nan 0.000 0.440 947 Q N 0.000 119.811 119.800 0.019 0.000 2.315 947 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 947 Q CA 0.000 55.818 55.803 0.024 0.000 1.022 947 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 947 Q HN 0.000 nan 8.270 nan 0.000 0.481